Basic information
- CAS
92541-43-0- Standard SMILES
COC(=O)[C@@H]1CCC[C@@H]1C(=O)O- InChIKey
KYGFHAUBFNTXFK-NTSWFWBYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
Names & identifiers
- Preferred name
- rac-(1R,2S)-2-(methoxycarbonyl)cyclopentane-1-carboxylic acid
- IUPAC
- cis-(1S,2R)-2-methoxycarbonylcyclopentane-1-carboxylic acid
Names & synonyms
rac-(1R,2S)-2-(methoxycarbonyl)cyclopentane-1-carboxylic acidRefChem:872781829-897-488315-64-4(1S,2R)-2-METHOXYCARBONYLCYCLOPENTANECARBOXYLIC ACID1S,2R)-cis-2-Methoxycarbonyl-cyclopentane-1-carboxylic acid1,2-Cyclopentanedicarboxylic acid, 1-methyl ester, (1R,2S)-rel-(1S,2R)-2-(METHOXYCARBONYL)CYCLOPENTANE-1-CARBOXYLIC ACID(1S,2R)-cis-2-methoxycarbonyl-cyclopentane-1-carboxylic acidorb3144355SCHEMBL2983236KYGFHAUBFNTXFK-NTSWFWBYSA-N
Show more names
MFCD24396361TYD-03696AT11432H60391EN300-1709669(1S,2R)-2-(methoxycarbonyl)cyclopentanecarboxylic acidrac-cis-cyclopentane-1,2-dicarboxylic acid monomethyl ester(1R,2S)-2-(METHOXYCARBONYL)-CYCLOPENTANE-1-CARBOXYLIC ACID
Database identifiers
- CAS
92541-43-0- PubChem CID
- 11344263
- EC Number
- 829-897-4
- Nikkaji
- J1.459.837E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 (100%)
Related reactions
2 records
Compound notes
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