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102145-65-3 | 4H-1-Benzopyran-4-one, 6-benzoyl-2,3-dihydro-2-(4-methoxyphenyl)-
CAS No: 102145-65-3 Catalog No: AG0006QI MDL No:
Product Description
Catalog Number:
AG0006QI
Chemical Name:
4H-1-Benzopyran-4-one, 6-benzoyl-2,3-dihydro-2-(4-methoxyphenyl)-
CAS Number:
102145-65-3
Molecular Formula:
C23H18O4
Molecular Weight:
358.3866
IUPAC Name:
6-benzoyl-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C23H18O4/c1-26-18-10-7-15(8-11-18)22-14-20(24)19-13-17(9-12-21(19)27-22)23(25)16-5-3-2-4-6-16/h2-13,22H,14H2,1H3
InChI Key:
DHUOUZFZKOHNQF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CC(=O)c2c(O1)ccc(c2)C(=O)c1ccccc1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.121g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.393g/mol
Monoisotopic Mass:
358.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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