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Home > Other Building Blocks > 79786-40-6
79786-40-6 | 4H-1-Benzopyran-4-one,6-methoxy-2-(3-methoxyphenyl)-
CAS No: 79786-40-6 Catalog No: AG005H90 MDL No:
Product Description
Catalog Number:
AG005H90
Chemical Name:
4H-1-Benzopyran-4-one,6-methoxy-2-(3-methoxyphenyl)-
CAS Number:
79786-40-6
Molecular Formula:
C17H14O4
Molecular Weight:
282.2907
IUPAC Name:
6-methoxy-2-(3-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C17H14O4/c1-19-12-5-3-4-11(8-12)17-10-15(18)14-9-13(20-2)6-7-16(14)21-17/h3-10H,1-2H3
InChI Key:
LLLIKVGWTVPYAL-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1cc(=O)c2c(o1)ccc(c2)OC
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.295g/mol
Monoisotopic Mass:
282.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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