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828-01-3

828-01-3 structural image
Product Name: DL-BETA-PHENYLLACTIC ACID
Formula: C9H10O3
Synonyms: α-Hydroxyhydrocinnamic acid;β-Phenyllactic acid;2-Hydroxy-3-phenylpropionic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 98 °C
LogP 1.83
Collision Cross Section 137.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Kovats Retention Index 1545

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H319:Serious eye damage/eye irritation
Precautionary Statement Codes P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 166.17 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 166.062994177 g/mol
Monoisotopic Mass 166.062994177 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 150
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-phenyllactic acid is a 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a phenyl group. It has a role as a human metabolite. It is functionally related to a rac-lactic acid. It is a conjugate acid of a 3-phenyllactate.

RELATED SUPPLIERS

Chempure

Mumbai
product:DL-3-Phenyllactic acid
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