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84053-09-8 | L-Phenylalanine, 4-(aminosulfonyl)-
CAS No: 84053-09-8 Catalog No: AG0050KH MDL No:
Product Description
Catalog Number:
AG0050KH
Chemical Name:
L-Phenylalanine, 4-(aminosulfonyl)-
CAS Number:
84053-09-8
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
IUPAC Name:
(2S)-2-amino-3-(4-sulfamoylphenyl)propanoic acid
InChI:
InChI=1S/C9H12N2O4S/c10-8(9(12)13)5-6-1-3-7(4-2-6)16(11,14)15/h1-4,8H,5,10H2,(H,12,13)(H2,11,14,15)/t8-/m0/s1
InChI Key:
WBBSPYKEIAAAMR-QMMMGPOBSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(cc1)S(=O)(=O)N)N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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