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100242-24-8 | 2H-1-Benzopyran-2-one, 7-hydroxy-3-(4-hydroxyphenyl)-4-phenyl-
CAS No: 100242-24-8 Catalog No: AG0001CW MDL No:
Product Description
Catalog Number:
AG0001CW
Chemical Name:
2H-1-Benzopyran-2-one, 7-hydroxy-3-(4-hydroxyphenyl)-4-phenyl-
CAS Number:
100242-24-8
Molecular Formula:
C21H14O4
Molecular Weight:
330.3335
IUPAC Name:
7-hydroxy-3-(4-hydroxyphenyl)-4-phenylchromen-2-one
InChI:
InChI=1S/C21H14O4/c22-15-8-6-14(7-9-15)20-19(13-4-2-1-3-5-13)17-11-10-16(23)12-18(17)25-21(20)24/h1-12,22-23H
InChI Key:
MLAIPUZEKYJFIL-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1c(=O)oc2c(c1c1ccccc1)ccc(c2)O
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.089g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.339g/mol
Monoisotopic Mass:
330.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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