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89839-31-6 | 4H-1-Benzopyran-4-one, 3-(2,4-dimethoxyphenyl)-2-methyl-
CAS No: 89839-31-6 Catalog No: AG003XLT MDL No:
Product Description
Catalog Number:
AG003XLT
Chemical Name:
4H-1-Benzopyran-4-one, 3-(2,4-dimethoxyphenyl)-2-methyl-
CAS Number:
89839-31-6
Molecular Formula:
C18H16O4
Molecular Weight:
296.3172
IUPAC Name:
3-(2,4-dimethoxyphenyl)-2-methylchromen-4-one
InChI:
InChI=1S/C18H16O4/c1-11-17(13-9-8-12(20-2)10-16(13)21-3)18(19)14-6-4-5-7-15(14)22-11/h4-10H,1-3H3
InChI Key:
QFBKOQAEMNUEIX-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1c1c(C)oc2c(c1=O)cccc2
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.322g/mol
Monoisotopic Mass:
296.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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