Basic information
- CAS
68252-17-5- Standard SMILES
COC(=O)C1CCCC1C(=O)OC- InChIKey
XFLSEYYPOYRKKC-UHFFFAOYSA-N- Molecular formula
- C9H14O4
- Average molar mass
- 186.2 g/mol
- Monoisotopic mass
- 186.08920893
Names & identifiers
- Preferred name
- 1,2-Cyclopentanedicarboxylic acid, dimethyl ester
- IUPAC
- dimethyl cyclopentane-1,2-dicarboxylate
- English name
- 1,2-Cyclopentanedicarboxylic acid, dimethyl ester
- Molecular formula
- C9H14O4
- Molecular weight
- 186.21
Names & synonyms
68252-17-51,2-Cyclopentanedicarboxylic acid, dimethyl esterdimethyl cyclopentane-1,2-dicarboxylate1,2-Cyclopentanedicarboxylicacid, 1,2-dimethyl esterCyclopentane-1,2-dicarboxylic acid dimethyl esterSCHEMBL4614064DTXSID80987769Dimethyl 1,2-cyclopentanedicarboxylateDimethyl 1,2-cyclopentanedicarboxylate #DA-036531,2-Cyclopentanedicarboxylic acid, 1,2-dimethyl ester1,2-dimethylcyclopentane-1,2-dicarboxylic acid
Show more names
(1S)-1α,2β-Cyclopentanedicarboxylic acid dimethyl ester(1R)-1β,2α-Cyclopentanedicarboxylic acid dimethyl ester
Database identifiers
- CAS
68252-17-5- PubChem CID
- 144294
- DTXSID
DTXSID80987769- Nikkaji
- J387.709D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 111 · 111-113 °C(Press: 12 Torr)
- Density
- 1.1165 g/cm³ · 1.1165 g/cm³
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
德拜科技有限公司00852-2521 1836
Related reactions
2 records
Compound notes
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