| Canonical Smiles | C1C(C1C(=O)O)C2=CC=CC=C2 |
|---|---|
| IUPAC Name | 2-phenylcyclopropane-1-carboxylic acid |
| InChIKey | AHDDRJBFJBDEPW-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12) |
| Isomeric SMILES | C1C(C1C(=O)O)C2=CC=CC=C2 |
| Molecular Weight | 162.19 |
| Reaxy-Rn | 2045851 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045851&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Cyclopropanecarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2507520 | Certificate of Analysis | Jan 04, 2025 | P694335 |
| G2507521 | Certificate of Analysis | Jan 04, 2025 | P694335 |
| G2507534 | Certificate of Analysis | Jan 04, 2025 | P694335 |
| G2507535 | Certificate of Analysis | Jan 04, 2025 | P694335 |
| G2507536 | Certificate of Analysis | Jan 04, 2025 | P694335 |
| G2507537 | Certificate of Analysis | Jan 04, 2025 | P694335 |
| G2507538 | Certificate of Analysis | Jan 04, 2025 | P694335 |
| G2507568 | Certificate of Analysis | Jan 04, 2025 | P694335 |
| Sensitivity | Moisture sensitive |
|---|---|
| Molecular Weight | 162.180 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 162.068 Da |
| Monoisotopic Mass | 162.068 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 182.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
