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Methyl (αS)-α-hydroxybenzenepropanoate

Methyl (αS)-α-hydroxybenzenepropanoate structure

Methyl (αS)-α-hydroxybenzenepropanoate 

structure
  • CAS No:

    13673-95-5

  • Formula:

    C10H12O3

  • Chemical Name:

    Methyl (αS)-α-hydroxybenzenepropanoate

  • Synonyms:

    Benzenepropanoic acid,α-hydroxy-,methyl ester,(αS)-;Lactic acid,3-phenyl-,methyl ester,L-;Benzenepropanoic acid,α-hydroxy-,methyl ester,(S)-;Methyl (αS)-α-hydroxybenzenepropanoate;L-β-Phenyllactic acid methyl ester;Methyl β-phenyl-L-lactate;Methyl L-phenyllactate;(S)-β-Phenyllactic acid methyl ester;Methyl (S)-α-hydroxy-β-phenylpropionate;Methyl L-2-hydroxy-3-phenylpropionate;Papulin;Methyl (S)-(-)-3-phenyllactate;Methyl 3-phenyl-L-lactate;Methyl (S)-3-phenyllactate;(-)-3-Phenyllactic acid methyl ester;(αS)-α-Hydroxybenzenepropanoic acid methyl ester;(2S)-2-Hydroxy-3-phenylpropionic acid methyl ester;Methyl (2S)-2-hydroxy-3-phenylpropanoate;Methyl (2S)-2-hydroxy-3-phenylpropanoate;(S)-2-Hydroxy-3-phenylpropionic acid methyl ester;Methyl (S)-2-hydroxy-3-phenylpropanoate;Papuline;19036-67-0

Methyl (αS)-α-hydroxybenzenepropanoate Basic Attributes

180.2

180.20

DTXSID40415351

2918199090

Characteristics

46.5

1.5

White or off-white crystal Assay

1.129 g/cm3 @ Temp: 20 °C

45-47 °C

110-115 °C @ Press: 3 Torr

120°C

1.529

2-8°C

0.00126mmHg at 25°C

-20.0 º(c=2,H2O)

Safety Information

NONH for all modes of transport

3

24/25

Computed Properties

Molecular Weight:180.20
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:162
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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