2-Cyclopropyl-3-phenylpropanoic acid
Basic information
- CAS
393184-59-3- Standard SMILES
O=C(O)C(Cc1ccccc1)C1CC1- InChIKey
VKKCXEZHVZXEJS-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- 2-Cyclopropyl-3-phenylpropanoic acid
- IUPAC
- 2-cyclopropyl-3-phenylpropanoic acid
Names & synonyms
2-cyclopropyl-3-phenylpropanoic acid393184-59-3RefChem:471144816-466-0CHEMBL1001232-cyclopropyl-3-phenylpropanoicacidTQA18459AKOS023417652EN300-1270585Z1262551844
Database identifiers
- CAS
393184-59-3- PubChem CID
- 44332017
- ChEMBL
CHEMBL100123- EC Number
- 816-466-0
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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