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Home > Nitro Compounds > 81840-05-3
81840-05-3 | 2-Nitro-5-(1-piperazinyl)cinnamic acid
CAS No: 81840-05-3 Catalog No: AG00GJSG MDL No:
Product Description
Catalog Number:
AG00GJSG
Chemical Name:
2-Nitro-5-(1-piperazinyl)cinnamic acid
CAS Number:
81840-05-3
IUPAC Name:
(E)-3-(2-nitro-5-piperazin-1-ylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C13H15N3O4/c17-13(18)4-1-10-9-11(2-3-12(10)16(19)20)15-7-5-14-6-8-15/h1-4,9,14H,5-8H2,(H,17,18)/b4-1+
InChI Key:
MXUXWLYVXJICEU-DAFODLJHSA-N
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
277.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.28g/mol
Monoisotopic Mass:
277.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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