| CAS Number | 886366-16-1 |
| Catalog Number | AG00GS3S(AGN-PC-0WO1WF) |
| Chemical Name | 1-(3-Methylphenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(3-methylphenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H12O2/c1-8-3-2-4-9(7-8)11(5-6-11)10(12)13/h2-4,7H,5-6H2,1H3,(H,12,13) |
| InChI Key | RUVWKLPXGCGYOR-UHFFFAOYSA-N |
| MDL Number | MFCD07374445 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | O=C(C1(C2=CC=CC(C)=C2)CC1)O |
| Synonyms | 886366-16-1,
1-(3-Methylphenyl)cyclopropanecarboxylic acid,
1-(3-methylphenyl)cyclopropane-1-carboxylic acid,
1-(m-Tolyl)cyclopropanecarboxylic acid,
SCHEMBL1561226,
CTK6C0937,
ZINC15015267,
1-m-Tolyl-cyclopropanecarboxylic acid,
AKOS000125553,
AB39484,
MCULE-4948550170,
NE45812,
DA-29132,
BB 0218090,
CS-0088464,
FT-0737071,
EN300-53537,
Cyclopropanecarboxylic acid, 1-(3-methylphenyl)-,
AC1Q2GYU,
1-M-TOLYLCYCLOPROPANECARBOXYLIC ACID,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.08373g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.21g/mol |
| Monoisotopic Mass | 176.08373g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number