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114501-93-8 | Propanoic acid, 3-amino-2-(phenylthio)-, (S)- (9CI)
CAS No: 114501-93-8 Catalog No: AG000ELQ MDL No:
Product Description
Catalog Number:
AG000ELQ
Chemical Name:
Propanoic acid, 3-amino-2-(phenylthio)-, (S)- (9CI)
CAS Number:
114501-93-8
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
IUPAC Name:
(2S)-3-amino-2-phenylsulfanylpropanoic acid
InChI:
InChI=1S/C9H11NO2S/c10-6-8(9(11)12)13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChI Key:
LHGNADNNDUQAFT-QMMMGPOBSA-N
SMILES:
NC[C@@H](C(=O)O)Sc1ccccc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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