| CAS Number | 1512778-52-7 |
| Catalog Number | AG01BTCW |
| Chemical Name | 1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H12O3/c12-9-3-1-8(2-4-9)7-11(5-6-11)10(13)14/h1-4,12H,5-7H2,(H,13,14) |
| InChI Key | OQMKXJVNYKABFC-UHFFFAOYSA-N |
| MDL Number | MFCD23836170 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | OC(C1(CC1)CC1=CC=C(O)C=C1)=O |
| Synonyms | 1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid,
1512778-52-7,
ZINC87179238,
AKOS018662212,
Z2752201067,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number