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113806-54-5 | Butanoic acid, 2-amino-4-(phenylsulfonyl)-, (S)- (9CI)
CAS No: 113806-54-5 Catalog No: AG0009QR MDL No:
Product Description
Catalog Number:
AG0009QR
Chemical Name:
Butanoic acid, 2-amino-4-(phenylsulfonyl)-, (S)- (9CI)
CAS Number:
113806-54-5
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
IUPAC Name:
(2S)-2-amino-4-(benzenesulfonyl)butanoic acid
InChI:
InChI=1S/C10H13NO4S/c11-9(10(12)13)6-7-16(14,15)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChI Key:
LZTXIIADCCCWKX-VIFPVBQESA-N
SMILES:
N[C@H](C(=O)O)CCS(=O)(=O)c1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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