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Home > Nitro Compounds > 314741-99-6
314741-99-6 | 4-methyl-7-[(4-nitrophenyl)methoxy]-2H-chromen-2-one
CAS No: 314741-99-6 Catalog No: AG00IX47 MDL No:MFCD01540119
Product Description
Catalog Number:
AG00IX47
Chemical Name:
4-methyl-7-[(4-nitrophenyl)methoxy]-2H-chromen-2-one
CAS Number:
314741-99-6
Molecular Formula:
C17H13NO5
Molecular Weight:
311.2888
MDL Number:
MFCD01540119
IUPAC Name:
4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one
InChI:
InChI=1S/C17H13NO5/c1-11-8-17(19)23-16-9-14(6-7-15(11)16)22-10-12-2-4-13(5-3-12)18(20)21/h2-9H,10H2,1H3
InChI Key:
VRNBIJBFDMJWTP-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)cc(cc2)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
490
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:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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