| CAS Number | 4607-41-4 |
| Catalog Number | AG003654(AGN-PC-0RUACU) |
| Chemical Name | 3-Hydroxyphenylpyruvic Acid |
| IUPAC Name | 3-(3-hydroxyphenyl)-2-oxopropanoic acid |
| InChI | InChI=1S/C9H8O4/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13) |
| InChI Key | PNYWALDMLUDDTA-UHFFFAOYSA-N |
| MDL Number | MFCD09742286 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.1574 |
| SMILES | OC=1C=C(C=CC1)CC(C(=O)O)=O |
| Synonyms | 3-(3-hydroxyphenyl)-2-oxopropanoic acid,
4607-41-4,
m-Hydroxyphenylpyruvic acid,
3-Hydroxyphenylpyruvic acid,
m-Hydroxyphenylpyruvate,
3-Hydroxyphenylpyruvate,
AC1NSWP3,
3-HPPA,
Benzenepropanoic acid, 3-hydroxy-.alpha.-oxo-,
SCHEMBL4928147,
CTK8A0081,
ARJ100537,
AKOS000149305,
ACN-036670,
alpha-Oxo-3-hydroxybenzenepropanoic acid,
HPPA,
CID5318321,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.159g/mol |
| Monoisotopic Mass | 180.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number