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Home > Nitro Compounds > 85142-53-6
85142-53-6 | 3-(4-Methoxy-2-nitro-phenylcarbamoyl)-acrylic acid
CAS No: 85142-53-6 Catalog No: AG01EXS4 MDL No:
Product Description
Catalog Number:
AG01EXS4
Chemical Name:
3-(4-Methoxy-2-nitro-phenylcarbamoyl)-acrylic acid
CAS Number:
85142-53-6
Molecular Formula:
C11H10N2O6
Molecular Weight:
266.2069
IUPAC Name:
(Z)-4-(4-methoxy-2-nitroanilino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C11H10N2O6/c1-19-7-2-3-8(9(6-7)13(17)18)12-10(14)4-5-11(15)16/h2-6H,1H3,(H,12,14)(H,15,16)/b5-4-
InChI Key:
ZKDLZLOZDAKBIO-PLNGDYQASA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])NC(=O)/C=C\C(=O)O
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
266.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.209g/mol
Monoisotopic Mass:
266.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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