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88952-90-3 | 4H-1-Benzopyran-4-one, 2-(3-methoxyphenyl)-6,8-dimethyl-
CAS No: 88952-90-3 Catalog No: AG00470K MDL No:
Product Description
Catalog Number:
AG00470K
Chemical Name:
4H-1-Benzopyran-4-one, 2-(3-methoxyphenyl)-6,8-dimethyl-
CAS Number:
88952-90-3
Molecular Formula:
C18H16O3
Molecular Weight:
280.3178
IUPAC Name:
2-(3-methoxyphenyl)-6,8-dimethylchromen-4-one
InChI:
InChI=1S/C18H16O3/c1-11-7-12(2)18-15(8-11)16(19)10-17(21-18)13-5-4-6-14(9-13)20-3/h4-10H,1-3H3
InChI Key:
ZLOJNUZBOLYPCD-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1cc(=O)c2c(o1)c(C)cc(c2)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.323g/mol
Monoisotopic Mass:
280.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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