| CAS Number | 1073545-88-6 |
| Catalog Number | AG00HAZT(AGN-PC-0WQXN1) |
| Chemical Name | 3-Cyclopropyl-3-(4-hydroxyphenyl)propanoic acid |
| IUPAC Name | 3-cyclopropyl-3-(4-hydroxyphenyl)propanoic acid |
| InChI | InChI=1S/C12H14O3/c13-10-5-3-9(4-6-10)11(7-12(14)15)8-1-2-8/h3-6,8,11,13H,1-2,7H2,(H,14,15) |
| InChI Key | OWXNQQUWPGXPMS-UHFFFAOYSA-N |
| MDL Number | MFCD22574044 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | OC(CC(C1=CC=C(O)C=C1)C1CC1)=O |
| Synonyms | 3-CYCLOPROPYL-3-(4-HYDROXYPHENYL)PROPANOIC ACID,
1073545-88-6,
SCHEMBL432781,
DTXSID90727476,
OWXNQQUWPGXPMS-UHFFFAOYSA-N,
MFCD22574044,
AKOS023420687,
AS-38435,
DA-15826,
FT-0764620,
Z2301438495,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number