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201930-42-9 | 2-Butenoic acid, 3-amino-2-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS No: 201930-42-9 Catalog No: AG0027X9 MDL No:
Product Description
Catalog Number:
AG0027X9
Chemical Name:
2-Butenoic acid, 3-amino-2-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS Number:
201930-42-9
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
IUPAC Name:
methyl 3-amino-2-(4-methylphenyl)sulfonylbut-2-enoate
InChI:
InChI=1S/C12H15NO4S/c1-8-4-6-10(7-5-8)18(15,16)11(9(2)13)12(14)17-3/h4-7H,13H2,1-3H3
InChI Key:
HWGSUPWLTXVUHC-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C(N)C)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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