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64501-87-7 | (S);-2-(4-Nitrophenylsulfonamido);-3-phenylpropanoic acid
CAS No: 64501-87-7 Catalog No: AG003SD8 MDL No:MFCD00191470
Product Description
Catalog Number:
AG003SD8
Chemical Name:
(S);-2-(4-Nitrophenylsulfonamido);-3-phenylpropanoic acid
CAS Number:
64501-87-7
Molecular Formula:
C15H14N2O6S
Molecular Weight:
350.3465
MDL Number:
MFCD00191470
IUPAC Name:
(2S)-2-[(4-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C15H14N2O6S/c18-15(19)14(10-11-4-2-1-3-5-11)16-24(22,23)13-8-6-12(7-9-13)17(20)21/h1-9,14,16H,10H2,(H,18,19)/t14-/m0/s1
InChI Key:
JVHRPLXWZFPXIJ-AWEZNQCLSA-N
SMILES:
OC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])Cc1ccccc1
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
350.057g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.345g/mol
Monoisotopic Mass:
350.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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