| CAS Number | 202737-32-4 |
| Catalog Number | AG00CFM5(AGN-PC-00UY8E) |
| Chemical Name | 1-(M-Tolyl)Cyclobutanecarboxylic acid |
| IUPAC Name | 1-(3-methylphenyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C12H14O2/c1-9-4-2-5-10(8-9)12(11(13)14)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3,(H,13,14) |
| InChI Key | SSPYKVRECSNVLY-UHFFFAOYSA-N |
| MDL Number | MFCD08444977 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | C1(=CC(=CC=C1)C1(CCC1)C(=O)O)C |
| Synonyms | 1-(3-methylphenyl)cyclobutanecarboxylic acid,
202737-32-4,
1-(3-methylphenyl)cyclobutane-1-carboxylic acid,
1-(M-Tolyl)Cyclobutanecarboxylic acid,
AC1Q2GYV,
SCHEMBL8110741,
CTK6C0938,
DTXSID90585518,
1-m-tolylcyclobutanecarboxylic acid,
MFCD08444977,
ZINC12505716,
AKOS009113450,
MCULE-4086463717,
NE55585,
AS-38963,
EN300-28291,
Z228588958,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number