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Home > Nitro Compounds > 652968-73-5
652968-73-5 | 4H-1-Benzopyran-4-one, 3-[(1Z)-2-(4-nitrophenyl)ethenyl]-
CAS No: 652968-73-5 Catalog No: AG00H5TT MDL No:
Product Description
Catalog Number:
AG00H5TT
Chemical Name:
4H-1-Benzopyran-4-one, 3-[(1Z)-2-(4-nitrophenyl)ethenyl]-
CAS Number:
652968-73-5
Molecular Formula:
C17H11NO4
Molecular Weight:
293.2735
IUPAC Name:
3-[2-(4-nitrophenyl)ethenyl]chromen-4-one
InChI:
InChI=1S/C17H11NO4/c19-17-13(11-22-16-4-2-1-3-15(16)17)8-5-12-6-9-14(10-7-12)18(20)21/h1-11H
InChI Key:
SOSALDPSJPEFEK-UHFFFAOYSA-N
SMILES:
O=c1c(/C=C\c2ccc(cc2)[N+](=O)[O-])coc2c1cccc2
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.278g/mol
Monoisotopic Mass:
293.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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