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88952-96-9 | 4H-1-Benzopyran-4-one, 6,7-dimethyl-2-(2-methylphenyl)-
CAS No: 88952-96-9 Catalog No: AG00470J MDL No:
Product Description
Catalog Number:
AG00470J
Chemical Name:
4H-1-Benzopyran-4-one, 6,7-dimethyl-2-(2-methylphenyl)-
CAS Number:
88952-96-9
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
IUPAC Name:
6,7-dimethyl-2-(2-methylphenyl)chromen-4-one
InChI:
InChI=1S/C18H16O2/c1-11-6-4-5-7-14(11)18-10-16(19)15-8-12(2)13(3)9-17(15)20-18/h4-10H,1-3H3
InChI Key:
YJOZZTVYAUCVSI-UHFFFAOYSA-N
SMILES:
Cc1cc2oc(cc(=O)c2cc1C)c1ccccc1C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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