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Home > Nitro Compounds > 744230-71-5
744230-71-5 | 4-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CAS No: 744230-71-5 Catalog No: AG019JFM MDL No:MFCD05267056
Product Description
Catalog Number:
AG019JFM
Chemical Name:
4-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CAS Number:
744230-71-5
Molecular Formula:
C14H15N3O7S
Molecular Weight:
369.3498
MDL Number:
MFCD05267056
IUPAC Name:
4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C14H15N3O7S/c18-13(4-5-14(19)20)15-6-8-16(9-7-15)25(23,24)12-3-1-2-11(10-12)17(21)22/h1-5,10H,6-9H2,(H,19,20)
InChI Key:
AVPUHKCDENOLPD-UHFFFAOYSA-N
SMILES:
OC(=O)C=CC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.063g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.348g/mol
Monoisotopic Mass:
369.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.1
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