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Home > Nitro Compounds > 652968-75-7
652968-75-7 | 4H-1-Benzopyran-4-one, 6-methyl-3-[(1Z)-2-(4-nitrophenyl)ethenyl]-
CAS No: 652968-75-7 Catalog No: AG00H5TS MDL No:
Product Description
Catalog Number:
AG00H5TS
Chemical Name:
4H-1-Benzopyran-4-one, 6-methyl-3-[(1Z)-2-(4-nitrophenyl)ethenyl]-
CAS Number:
652968-75-7
Molecular Formula:
C18H13NO4
Molecular Weight:
307.3001
IUPAC Name:
6-methyl-3-[2-(4-nitrophenyl)ethenyl]chromen-4-one
InChI:
InChI=1S/C18H13NO4/c1-12-2-9-17-16(10-12)18(20)14(11-23-17)6-3-13-4-7-15(8-5-13)19(21)22/h2-11H,1H3
InChI Key:
HDVLXEZMZMXSFI-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(=O)c(co2)/C=C\c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.084g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.305g/mol
Monoisotopic Mass:
307.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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