| CAS Number | 56703-34-5 |
| Catalog Number | AG01BV97(AGN-PC-02RXAM) |
| Chemical Name | 3-[4-(hydroxymethyl)phenyl]propanoic acid |
| IUPAC Name | 3-[4-(hydroxymethyl)phenyl]propanoic acid |
| InChI | InChI=1S/C10H12O3/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4,11H,5-7H2,(H,12,13) |
| InChI Key | CKLYBTLKNBKSIE-UHFFFAOYSA-N |
| MDL Number | MFCD20638745 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | O=C(O)CCC1=CC=C(CO)C=C1 |
| Synonyms | 3-[4-(hydroxymethyl)phenyl]propanoic acid,
56703-34-5,
SCHEMBL1411497,
CTK1F4016,
DTXSID50605201,
CKLYBTLKNBKSIE-UHFFFAOYSA-N,
4-Hydroxymethyl-hydrocinnamic acid,
AKOS022397406,
(4-(Hydroxymethyl)phenyl)propanoic acid,
3-(4-hydroxymethyl-phenyl)-propionic acid,
Benzenepropanoic acid, 4-(hydroxymethyl)-,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number