(1S,2R)-2-Phenylcyclopropanecarboxylic acid
Basic information
- CAS
23020-18-0- Standard SMILES
O=C(O)[C@H]1C[C@H]1c1ccccc1- InChIKey
AHDDRJBFJBDEPW-IUCAKERBSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- (1S,2R)-2-Phenylcyclopropanecarboxylic acid
- IUPAC
- cis-(1S,2R)-2-phenylcyclopropane-1-carboxylic acid
- English name
- (1S)-2α-Phenylcyclopropane-1α-carboxylic acid
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
23020-18-0(1S,2R)-2-Phenylcyclopropanecarboxylic acid(1S,2R)-2-phenylcyclopropane-1-carboxylic acidMFCD20488809R5Y6RJ2VZ6(1S)-2alpha-Phenylcyclopropane-1alpha-carboxylic acidCyclopropanecarboxylic acid, 2-phenyl-, (1S,2R)-2-Phenyl-1-cyclopropanecarboxylic acid, cis-(+)-2-Phenyl-1-cyclopropanecarboxylic acid, (1S-cis)-Cyclopropanecarboxylic acid, 2-phenyl-, (1S-cis)-Cyclopropanecarboxylic acid, 2-phenyl-, (1S,2R)-(+)-7V3W75X6M2
Show more names
(1S)-2α-Phenylcyclopropane-1α(1S,2R)-2-Phenylcyclopropanecarboxylic acid(1S)-2α-Phenylcyclopropane-1α-carboxylic acid(1S,2R)-2-phenylcyclopropanecarboxylic acid dihydrochloride(1S,2R)-2-phenylcyclopropanecarboxylic acid (1S,2R)-2-(pyridin-4-yl)cyclopropanecarboxylic acid
2-Phenyl-1-cyclopropanecarboxylic acid, cis-(+/-)-UNII-R5Y6RJ2VZ6SCHEMBL8295172EBC-54222AKOS027324893AS-48639SY198959(1S,2R)-2-Phenylcyclopropanecarboxylicacid
Database identifiers
- CAS
23020-18-0、939-89-9- PubChem CID
- 736144
- UNII
- 7V3W75X6M2、R5Y6RJ2VZ6
- Nikkaji
- J88.135J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 83 · 83-84 °C
- Boiling point
- 135 · 135-140 °C(Press: 0.04 Torr)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 4.57 · 4.57±0.10(Predicted)
- FDA UNII
- 5 Y6RJ2VZ6 · R5Y6RJ2VZ6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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