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Home > Nitro Compounds > 22074-14-2
22074-14-2 | 2H-1-Benzopyran-2-one, 7-hydroxy-3-(4-nitrophenyl)-
CAS No: 22074-14-2 Catalog No: AG00I4BV MDL No:MFCD06634033
Product Description
Catalog Number:
AG00I4BV
Chemical Name:
2H-1-Benzopyran-2-one, 7-hydroxy-3-(4-nitrophenyl)-
CAS Number:
22074-14-2
Molecular Formula:
C15H9NO5
Molecular Weight:
283.2357
MDL Number:
MFCD06634033
IUPAC Name:
7-hydroxy-3-(4-nitrophenyl)chromen-2-one
InChI:
InChI=1S/C15H9NO5/c17-12-6-3-10-7-13(15(18)21-14(10)8-12)9-1-4-11(5-2-9)16(19)20/h1-8,17H
InChI Key:
ZIEKCHGRRCVQQL-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(=O)c(c2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.239g/mol
Monoisotopic Mass:
283.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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