| CAS Number | 151157-47-0 |
| Catalog Number | AG00B8DL(AGN-PC-040UB7) |
| Chemical Name | 1-(2-methylphenyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 1-(2-methylphenyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C12H14O2/c1-9-5-2-3-6-10(9)12(11(13)14)7-4-8-12/h2-3,5-6H,4,7-8H2,1H3,(H,13,14) |
| InChI Key | OYSYHHVWRKEZFJ-UHFFFAOYSA-N |
| MDL Number | MFCD11037063 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | OC(=O)C1(CCC1)c1ccccc1C |
| Synonyms | 151157-47-0,
1-(2-METHYLPHENYL)CYCLOBUTANE-1-CARBOXYLIC ACID,
1-(o-tolyl)Cyclobutanecarboxylic acid,
1-(2-Methylphenyl)cyclobutanecarboxylic Acid,
SCHEMBL8112603,
DTXSID40632647,
MFCD11037063,
ZINC20429424,
AKOS009265695,
MCULE-4267980914,
NE31624,
AS-38976,
SY161307,
MFCD11037063 (95%),
Z1824511481,
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| 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 |
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Certificate of Analysis
Lot Number