4-Hydroxyphenylpyruvic acid
C₉H₈O₄·180.160 g/mol·CID 979
IUPAC: 3-(4-hydroxyphenyl)-2-oxopropanoic acid
Also known as: 156-39-8, 3-(4-Hydroxyphenyl)-2-oxopropanoic acid, p-Hydroxyphenylpyruvic acid, (P-HYDROXYPHENYL)PYRUVIC ACID, 3-(p-Hydroxyphenyl)pyruvic acid (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
180.160g/mol
Exact Mass
180.042259Da
Monoisotopic Mass
180.042259Da
XLogP
0.9
Polar Surface Area
74.6Ų
Complexity
204
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
13
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 180.2 g/mol
MW ≤ 500
✓ 0.9
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)