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Home > Nitro Compounds > 122260-03-1
122260-03-1 | 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(4-nitrophenyl)-
CAS No: 122260-03-1 Catalog No: AG00170Q MDL No:
Product Description
Catalog Number:
AG00170Q
Chemical Name:
4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(4-nitrophenyl)-
CAS Number:
122260-03-1
Molecular Formula:
C17H13NO5
Molecular Weight:
311.2888
IUPAC Name:
7-methoxy-3-methyl-2-(4-nitrophenyl)chromen-4-one
InChI:
InChI=1S/C17H13NO5/c1-10-16(19)14-8-7-13(22-2)9-15(14)23-17(10)11-3-5-12(6-4-11)18(20)21/h3-9H,1-2H3
InChI Key:
ZDRASXYVDRXQNN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(c(c2=O)C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.293g/mol
Monoisotopic Mass:
311.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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