| CAS Number | 131170-40-6 |
| Catalog Number | AG01C99A |
| Chemical Name | 4-(1-Methylcyclopropyl)benzoic acid |
| IUPAC Name | 4-(1-methylcyclopropyl)benzoic acid |
| InChI | InChI=1S/C11H12O2/c1-11(6-7-11)9-4-2-8(3-5-9)10(12)13/h2-5H,6-7H2,1H3,(H,12,13) |
| InChI Key | MJEMBQXUGUQDEK-UHFFFAOYSA-N |
| MDL Number | MFCD06408344 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | O=C(O)C1=CC=C(C2(C)CC2)C=C1 |
| Synonyms | 4-(1-methylcyclopropyl)benzoic acid,
131170-40-6,
AC1MTNNT,
SCHEMBL15956227,
CTK7I7815,
ZINC4298600,
STK107231,
AKOS003593751,
MCULE-1365060647,
4-(1-METHYL-CYCLOPROPYL)-BENZOIC ACID,
CID3652665,
|
| Complexity | 210 |
| 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 | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number