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Home > Nitro Compounds > 314258-01-0
314258-01-0 | 3-(4-Ethoxy-2-nitro-phenylcarbamoyl)-acrylic acid
CAS No: 314258-01-0 Catalog No: AG017GHM MDL No:
Product Description
Catalog Number:
AG017GHM
Chemical Name:
3-(4-Ethoxy-2-nitro-phenylcarbamoyl)-acrylic acid
CAS Number:
314258-01-0
Molecular Formula:
C12H12N2O6
Molecular Weight:
280.2335
IUPAC Name:
4-(4-ethoxy-2-nitroanilino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C12H12N2O6/c1-2-20-8-3-4-9(10(7-8)14(18)19)13-11(15)5-6-12(16)17/h3-7H,2H2,1H3,(H,13,15)(H,16,17)
InChI Key:
FLESIQSNLIUBLG-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)/C=C\C(=O)O
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.07g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.236g/mol
Monoisotopic Mass:
280.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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