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4607-41-4 | 3-Hydroxyphenylpyruvic acid
CAS No: 4607-41-4 Catalog No: AG003654 MDL No:
Product Description
Catalog Number:
AG003654
Chemical Name:
3-Hydroxyphenylpyruvic acid
CAS Number:
4607-41-4
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
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
SMILES:
Oc1cccc(c1)CC(=O)C(=O)O
Properties
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
Literature
| Title | Journal |
|---|---|
| meta-Tyrosine in Festuca rubra ssp. commutata (Chewings fescue) is synthesized by hydroxylation of phenylalanine. | Phytochemistry 20120301 |
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