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(R)-(-)-Methyl mandelate

(R)-(-)-Methyl mandelate structure

CAS No:
20698-91-3
Formula:
C9H10O3
Chemical Name:
(R)-(-)-Methyl mandelate
Synonyms:
(R)-Phenyl(hydroxy)acetic acid methyl ester;(R)-Phenylhydroxyacetic acid methyl ester;[R,(-)]-α-Hydroxybenzeneacetic acid methyl ester;(R)-Methyl 2-hydroxy-2-phenylacetate;Methyl (R)-(-)-mandelate;D-Mandelic Acid Methyl Ester,99%e.e.;(-)-METHYL D-MANDELATE;METHYL D-(-)-MANDELATE
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Description

white powder

(R)-(-)-Methyl mandelate Basic Attributes

Molecular Weight：

166.17

Exact Mass：

166.062988

BRN：

3589447

DSSTox ID：

DTXSID10369195

HScode：

2918199090

Characteristics

PSA：

46.5

XLogP3：

1.2

Density：

1.2±0.1 g/cm3

Melting Point：

56-58 °C

Boiling Point：

258.1°C at 760 mmHg

Flash Point：

>110°C

Refractive Index：

1.535

Storage Conditions：

2-8°C

Specific rotation：

-146 º (c=2, MeOH)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Computed Properties

Molecular Weight:166.17
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:166.062994177
Monoisotopic Mass:166.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:150
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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