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102468-65-5 | 4H-1-Benzopyran-4-one, 3-hydroxy-2-[4-(phenylmethoxy)phenyl]-
CAS No: 102468-65-5 Catalog No: AG0007JJ MDL No:
Product Description
Catalog Number:
AG0007JJ
Chemical Name:
4H-1-Benzopyran-4-one, 3-hydroxy-2-[4-(phenylmethoxy)phenyl]-
CAS Number:
102468-65-5
Molecular Formula:
C22H16O4
Molecular Weight:
344.3600
IUPAC Name:
3-hydroxy-2-(4-phenylmethoxyphenyl)chromen-4-one
InChI:
InChI=1S/C22H16O4/c23-20-18-8-4-5-9-19(18)26-22(21(20)24)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13,24H,14H2
InChI Key:
HYCPSIKUWOEHAR-UHFFFAOYSA-N
SMILES:
O=c1c(O)c(oc2c1cccc2)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.105g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.366g/mol
Monoisotopic Mass:
344.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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