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127744-28-9

127744-28-9 | Propanoic acid, 2-hydroxy-3-(phenylmethoxy)-, methyl ester, (2S)-

CAS No: 127744-28-9 Catalog No: AG000XDU MDL No:

Product Description

Catalog Number:
AG000XDU
Chemical Name:
Propanoic acid, 2-hydroxy-3-(phenylmethoxy)-, methyl ester, (2S)-
CAS Number:
127744-28-9
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
methyl (2S)-2-hydroxy-3-phenylmethoxypropanoate
InChI:
InChI=1S/C11H14O4/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/t10-/m0/s1
InChI Key:
ACBWWWIGOQIBMS-JTQLQIEISA-N
SMILES:
COC(=O)[C@H](COCc1ccccc1)O

Properties

Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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