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Home > Nitro Compounds > 143794-95-0
143794-95-0 | 2,4-Pentadienoic acid, 2-hydroxy-5-nitro-
CAS No: 143794-95-0 Catalog No: AG001IDC MDL No:
Product Description
Catalog Number:
AG001IDC
Chemical Name:
2,4-Pentadienoic acid, 2-hydroxy-5-nitro-
CAS Number:
143794-95-0
Molecular Formula:
C5H5NO5
Molecular Weight:
159.0969
IUPAC Name:
2-hydroxy-5-nitropenta-2,4-dienoic acid
InChI:
InChI=1S/C5H5NO5/c7-4(5(8)9)2-1-3-6(10)11/h1-3,7H,(H,8,9)
InChI Key:
AWIWLUIOYDCPBC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=CC=C(C(=O)O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.017g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.097g/mol
Monoisotopic Mass:
159.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.4
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