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Home > Nitro Compounds > 876514-97-5
876514-97-5 | 2(1H)-Quinolinone, 5-ethenyl-8-methoxy-1,4-dimethyl-6-nitro-
CAS No: 876514-97-5 Catalog No: AG004HIX MDL No:
Product Description
Catalog Number:
AG004HIX
Chemical Name:
2(1H)-Quinolinone, 5-ethenyl-8-methoxy-1,4-dimethyl-6-nitro-
CAS Number:
876514-97-5
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
IUPAC Name:
5-ethenyl-8-methoxy-1,4-dimethyl-6-nitroquinolin-2-one
InChI:
InChI=1S/C14H14N2O4/c1-5-9-10(16(18)19)7-11(20-4)14-13(9)8(2)6-12(17)15(14)3/h5-7H,1H2,2-4H3
InChI Key:
NCPOUFQMWPTTED-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(c2c1n(C)c(=O)cc2C)C=C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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