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Home > Nitro Compounds > 137522-88-4
137522-88-4 | 4H-1-Benzopyran-4-one, 7-(formyloxy)-3-(4-nitrophenyl)-
CAS No: 137522-88-4 Catalog No: AG0013GU MDL No:
Product Description
Catalog Number:
AG0013GU
Chemical Name:
4H-1-Benzopyran-4-one, 7-(formyloxy)-3-(4-nitrophenyl)-
CAS Number:
137522-88-4
Molecular Formula:
C16H9NO6
Molecular Weight:
311.2458
IUPAC Name:
[3-(4-nitrophenyl)-4-oxochromen-7-yl] formate
InChI:
InChI=1S/C16H9NO6/c18-9-23-12-5-6-13-15(7-12)22-8-14(16(13)19)10-1-3-11(4-2-10)17(20)21/h1-9H
InChI Key:
MCKQWFPLPBVFKL-UHFFFAOYSA-N
SMILES:
O=COc1ccc2c(c1)occ(c2=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.043g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.249g/mol
Monoisotopic Mass:
311.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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