| CAS Number | 926209-30-5 |
| Catalog Number | AG00H0CF(AGN-PC-0WOBA0) |
| Chemical Name | 1-(3-Methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C12H14O3/c1-8-3-4-9(7-10(8)15-2)12(5-6-12)11(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14) |
| InChI Key | WHSRBWOFSUGSHR-UHFFFAOYSA-N |
| MDL Number | MFCD08443417 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | O=C(C1(C2=CC=C(C)C(OC)=C2)CC1)O |
| Synonyms | 926209-30-5,
1-(3-METHOXY-4-METHYLPHENYL)CYCLOPROPANECARBOXYLIC ACID,
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid,
SCHEMBL19469640,
CTK6J6735,
ZINC21953036,
AKOS000126356,
MCULE-3939953046,
NE33193,
SY180372,
EN300-61728,
MFCD08443417 (95%),
Z1222283865,
1-(3-methoxy-4-methylphenyl)cyclopropanecarboxylic acid, AldrichCPR,
AC1Q44PL,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094294g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.24g/mol |
| Monoisotopic Mass | 206.094294g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number