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Home > Nitro Compounds > 114642-64-7
114642-64-7 | 2-Butenedioic acid (2E)-, monomethyl ester, 2-[(4-nitrophenyl)sulfonyl]hydrazide (9CI)
CAS No: 114642-64-7 Catalog No: AG000EWJ MDL No:
Product Description
Catalog Number:
AG000EWJ
Chemical Name:
2-Butenedioic acid (2E)-, monomethyl ester, 2-[(4-nitrophenyl)sulfonyl]hydrazide (9CI)
CAS Number:
114642-64-7
Molecular Formula:
C11H11N3O7S
Molecular Weight:
329.2859
IUPAC Name:
methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate
InChI:
InChI=1S/C11H11N3O7S/c1-21-11(16)7-6-10(15)12-13-22(19,20)9-4-2-8(3-5-9)14(17)18/h2-7,13H,1H3,(H,12,15)
InChI Key:
IKBUVISYYKSKJT-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/C(=O)NNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.032g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.283g/mol
Monoisotopic Mass:
329.032g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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