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113769-38-3 | 5H-Furo[3,2-g][1]benzopyran-5-one, 2,3,6-triphenyl-9-(2-phenylacetyl)-
CAS No: 113769-38-3 Catalog No: AG0009LR MDL No:
Product Description
Catalog Number:
AG0009LR
Chemical Name:
5H-Furo[3,2-g][1]benzopyran-5-one, 2,3,6-triphenyl-9-(2-phenylacetyl)-
CAS Number:
113769-38-3
Molecular Formula:
C37H24O4
Molecular Weight:
532.5841
IUPAC Name:
2,3,6-triphenyl-9-(2-phenylacetyl)furo[3,2-g]chromen-5-one
InChI:
InChI=1S/C37H24O4/c38-31(21-24-13-5-1-6-14-24)33-36-29(34(39)30(23-40-36)25-15-7-2-8-16-25)22-28-32(26-17-9-3-10-18-26)35(41-37(28)33)27-19-11-4-12-20-27/h1-20,22-23H,21H2
InChI Key:
VQZOJUROSWRHIB-UHFFFAOYSA-N
SMILES:
O=c1c(coc2c1cc1c(c3ccccc3)c(oc1c2C(=O)Cc1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
946
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.167g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
532.595g/mol
Monoisotopic Mass:
532.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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