| CAS Number | 1540440-87-6 |
| Catalog Number | AG01C20F |
| Chemical Name | 2-(3-Cyclopropylphenyl)acetic acid |
| IUPAC Name | 2-(3-cyclopropylphenyl)acetic acid |
| InChI | InChI=1S/C11H12O2/c12-11(13)7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,12,13) |
| InChI Key | QOBBIGITZNWWSZ-UHFFFAOYSA-N |
| MDL Number | MFCD23806618 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | OC(CC1=CC(C2CC2)=CC=C1)=O |
| Synonyms | 2-(3-cyclopropylphenyl)acetic acid,
1540440-87-6,
ZINC87014479,
AKOS018536927,
Z2301499848,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number