rac-(2R,3R)-2,3-dimethylcyclopropane-1-carboxylic acid
Basic information
- CAS
20431-63-4- Standard SMILES
C[C@H]1C(C(=O)O)[C@@H]1C- InChIKey
VEQMUQZKBLIXLT-QWWZWVQMSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Names & identifiers
- Preferred name
- rac-(2R,3R)-2,3-dimethylcyclopropane-1-carboxylic acid
- IUPAC
- trans-(2R,3R)-2,3-dimethylcyclopropane-1-carboxylic acid
Names & synonyms
rac-(2R,3R)-2,3-dimethylcyclopropane-1-carboxylic acidRefChem:873447891-502-620431-63-4(2R,3R)-2,3-Dimethylcyclopropanecarboxylic acidrel-(2R,3R)-2,3-Dimethylcyclopropane-1-carboxylic acid20431-72-5MFCD32200336I80484EN300-4076091
Database identifiers
- CAS
20431-63-4- PubChem CID
- 12453027
- EC Number
- 891-502-6
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 112
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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