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113810-85-8 | Methanone, (4-hydroxy-4H-1-benzopyran-2,3-diyl)bis[phenyl- (9CI)
CAS No: 113810-85-8 Catalog No: AG0009RQ MDL No:
Product Description
Catalog Number:
AG0009RQ
Chemical Name:
Methanone, (4-hydroxy-4H-1-benzopyran-2,3-diyl)bis[phenyl- (9CI)
CAS Number:
113810-85-8
Molecular Formula:
C23H16O4
Molecular Weight:
356.3707
IUPAC Name:
(2-benzoyl-4-hydroxy-4H-chromen-3-yl)-phenylmethanone
InChI:
InChI=1S/C23H16O4/c24-20(15-9-3-1-4-10-15)19-22(26)17-13-7-8-14-18(17)27-23(19)21(25)16-11-5-2-6-12-16/h1-14,22,26H
InChI Key:
KFABPLKINSZYFB-UHFFFAOYSA-N
SMILES:
O=C(C1=C(Oc2c(C1O)cccc2)C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.105g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.377g/mol
Monoisotopic Mass:
356.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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