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Home > Nitro Compounds > 1772-65-2
1772-65-2 | 3-Butenoic acid, 4-(3-nitrophenyl)-2-oxo-
CAS No: 1772-65-2 Catalog No: AG00255M MDL No:
Product Description
Catalog Number:
AG00255M
Chemical Name:
3-Butenoic acid, 4-(3-nitrophenyl)-2-oxo-
CAS Number:
1772-65-2
Molecular Formula:
C10H7NO5
Molecular Weight:
221.1663
IUPAC Name:
(E)-4-(3-nitrophenyl)-2-oxobut-3-enoic acid
InChI:
InChI=1S/C10H7NO5/c12-9(10(13)14)5-4-7-2-1-3-8(6-7)11(15)16/h1-6H,(H,13,14)/b5-4+
InChI Key:
ZFLQRNNAXIJMSS-SNAWJCMRSA-N
SMILES:
OC(=O)C(=O)C=Cc1cccc(c1)[N+](=O)[O-]
NSC Number:
157880
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
221.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.168g/mol
Monoisotopic Mass:
221.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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