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306-23-0

306-23-0 structural image
Product Name: 3-(4-Hydroxyphenyl)lactate
Formula: C9H10O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Solubility 12.9 mg/mL at 16 °C
Collision Cross Section 139.4 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 182.17 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 182.05790880 g/mol
Monoisotopic Mass 182.05790880 g/mol
Topological Polar Surface Area 77.8 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 173
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3-(4-hydroxyphenyl)lactic acid is a 2-hydroxy carboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. It has a role as a human metabolite and a bacterial metabolite. It is a 2-hydroxy carboxylic acid and a member of phenols. It is functionally related to a rac-lactic acid. It is a conjugate acid of a 3-(4-hydroxyphenyl)lactate.