| CAS Number | 909698-10-8 |
| Catalog Number | AG00H2JR(AGN-PC-0WAMKC) |
| Chemical Name | 4-Cyclopropyl-2-methylbenzoic acid |
| IUPAC Name | 4-cyclopropyl-2-methylbenzoic acid |
| InChI | InChI=1S/C11H12O2/c1-7-6-9(8-2-3-8)4-5-10(7)11(12)13/h4-6,8H,2-3H2,1H3,(H,12,13) |
| InChI Key | HMTLOHPHMSYDEB-UHFFFAOYSA-N |
| MDL Number | MFCD20645932 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | O=C(O)C1=CC=C(C2CC2)C=C1C |
| Synonyms | 4-cyclopropyl-2-methylbenzoic acid,
909698-10-8,
AK402678,
A1-02708,
SCHEMBL1725857,
HMTLOHPHMSYDEB-UHFFFAOYSA-N,
4-Cyclopropyl-2-methyl-benzoic acid,
MFCD20645932,
AKOS027384216,
ZINC116943355,
Benzoic acid, 4-cyclopropyl-2-methyl-,
FCH1225968,
DS-13531,
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| Complexity | 208 |
| 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 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number