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127744-27-8 | Propanoic acid, 2-hydroxy-3-(phenylmethoxy)-, (2S)-
CAS No: 127744-27-8 Catalog No: AG000XDV MDL No:MFCD09033166
Product Description
Catalog Number:
AG000XDV
Chemical Name:
Propanoic acid, 2-hydroxy-3-(phenylmethoxy)-, (2S)-
CAS Number:
127744-27-8
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD09033166
IUPAC Name:
(2S)-2-hydroxy-3-phenylmethoxypropanoic acid
InChI:
InChI=1S/C10H12O4/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m0/s1
InChI Key:
LYSUHDDCSREYHC-VIFPVBQESA-N
SMILES:
O[C@H](C(=O)O)COCc1ccccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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