Basic information
- CAS
1461-96-7- Standard SMILES
O=C(O)[C@H]1CCC[C@H]1C(=O)O- InChIKey
ASJCSAKCMTWGAH-SYDPRGILSA-N- Molecular formula
- C7H10O4
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.0579088
Names & identifiers
- Preferred name
- cis-Cyclopentane-1,2-dicarboxylic acid
- IUPAC
- cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid
- English name
- CIS-CYCLOPENTANE-1,2-DICARBOXYLIC ACID
- Molecular formula
- C7H10O4
- Molecular weight
- 158.15
Names & synonyms
cis-Cyclopentane-1,2-dicarboxylic acidRefChem:10819611461-96-7cis-1,2-cyclopentanedicarboxylic acidMFCD013111721,2-Cyclopentanedicarboxylic acid, (1R,2S)-rel-(1S,2R)-cyclopentane-1,2-dicarboxylic acid(1R,2S)-rel-1,2-Cyclopentanedicarboxylic Acid(1r,2s)-cyclopentane-1,2-dicarboxylic acid(+/-)-cis-Cyclopentane-1,2-dicarboxylic acidSCHEMBL419838ASJCSAKCMTWGAH-SYDPRGILSA-N
Show more names
cis-Cyclopentanedicarboxylic acidcis-Cyclopentane-1,2-dicarboxylic1,2-Cyclopentanedicarboxylic acid, cis-(±)-cis-Cyclopentane-1,2-dicarboxylicaci(1R,2S)-1,2-Cyclopentanedicarboxylic acid(1R)-Cyclopentane-1β,2β-dicarboxylic acid(±)-cis-Cyclopentane-1,2-dicarboxylic acid
AKOS006278148cis-1, 2-cyclopentanedicarboxylic acidcis-1,2-cyclopentanedicarbo xylic acidCS-W010898(cis)-cyclopentane-1,2-dicarboxylic acidAS-30035SY064388DB-369948
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 132 · 132-136℃
- Boiling point
- 378.6 · 378.6±35.0 °C(Predicted)
- Density
- 1.396 · 1.396±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- Store at room temperature
- solubility
- Chloroform, Methanol, Moderately Solubility in Water
- form
- crystals
- pka
- 1 · pK1:4.43;pK2:6.67 (25°C)
- Appearance
- White to off-white Solid
- BRN
- 2049007 · 2049007
- InChI
- InChI=1/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5+
- InChIKey
- ASJCSAKCMTWGAH-SYDPRGILSA-N
- SMILES
- [C@@H]1(C(O)=O)CCC[C@@H]1C(O)=O |&1:0,7,r|
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety data
- wgk
- 3
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Applications
Uses(1R,2S)-rel-1,2-Cyclopentanedicarboxylic Acid is a Possible inhibitor of prolidase.
Upstream & downstream products
Upstream raw materials
Suppliers69 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
武汉欣扬瑞和化学科技有限公司18171205315; 18171205315 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
3 records
Compound notes
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