Basic information
- CAS
17202-56-1- Standard SMILES
O=C(O)C1CC12CCC2- InChIKey
VVSCGNLRDCLHAN-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- Spiro(2.3)hexane-1-carboxylic Acid
- IUPAC
- spiro[2.3]hexane-2-carboxylic acid
- English name
- Spiro[2.3]hexane-1-carboxylic acid
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
Spiro[2.3]hexane-1-carboxylic Acid17202-56-1DTXSID80405150Spiro(2.3)hexane-1-carboxylic AcidRefChem:380834DTXCID50356004696-352-3spiro[2.3]hexane-2-carboxylic acidMFCD04038994spirohexane-1-carboxylic acidSCHEMBL301094VVSCGNLRDCLHAN-UHFFFAOYSA-N
Show more names
CHEMBRDG-BB 40035351-Carboxyspiro[2.3]hexanerac-(R)-spiro[2.3]hexane-1-carboxylic acid
Spiro[2.3]hexane-1-carboxylicAcidAKOS006230453BS-13159FS167675SY041944DB-371719CS-0048697EN300-105925
Database identifiers
- CAS
17202-56-1- PubChem CID
- 4642003
- DTXSID
DTXSID80405150- EC Number
- 696-352-3
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 239.9 · 239.9±8.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 4.83 · 4.83±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26
- Hazard Note
- Irritant
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- hs_code
- 2916399090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers33 total
上海鹏鹊化学科技有限公司15317013857 15901926503 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
西安华瑞致远生物科技有限公司18112972000 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
宁波苯康基石医药科技有限公司15990591583
台州南峰药物研究所[email protected] 13127117265 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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