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100462-43-9 | Butanoic acid, 4-oxo-4-[(phenylsulfonyl)amino]-
CAS No: 100462-43-9 Catalog No: AG00021J MDL No:MFCD01861218
Product Description
Catalog Number:
AG00021J
Chemical Name:
Butanoic acid, 4-oxo-4-[(phenylsulfonyl)amino]-
CAS Number:
100462-43-9
Molecular Formula:
C10H11NO5S
Molecular Weight:
257.2630
MDL Number:
MFCD01861218
IUPAC Name:
4-(benzenesulfonamido)-4-oxobutanoic acid
InChI:
InChI=1S/C10H11NO5S/c12-9(6-7-10(13)14)11-17(15,16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChI Key:
NVDKGZPVBHGXEZ-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccccc1)CCC(=O)O
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.26g/mol
Monoisotopic Mass:
257.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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