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883558-11-0 | 2H-1-BENZOPYRAN-2-ONE, 7-(BENZOYLOXY)-3-[2,4-BIS(BENZOYLOXY)PHENYL]-4-METHYL-
CAS No: 883558-11-0 Catalog No: AG0046RV MDL No:
Product Description
Catalog Number:
AG0046RV
Chemical Name:
2H-1-BENZOPYRAN-2-ONE, 7-(BENZOYLOXY)-3-[2,4-BIS(BENZOYLOXY)PHENYL]-4-METHYL-
CAS Number:
883558-11-0
Molecular Formula:
C37H24O8
Molecular Weight:
596.5817
IUPAC Name:
[3-(2,4-dibenzoyloxyphenyl)-4-methyl-2-oxochromen-7-yl] benzoate
InChI:
InChI=1S/C37H24O8/c1-23-29-19-17-27(42-34(38)24-11-5-2-6-12-24)21-31(29)45-37(41)33(23)30-20-18-28(43-35(39)25-13-7-3-8-14-25)22-32(30)44-36(40)26-15-9-4-10-16-26/h2-22H,1H3
InChI Key:
YFEGJGDVWRMSSA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1cc(ccc1c1c(=O)oc2c(c1C)ccc(c2)OC(=O)c1ccccc1)OC(=O)c1ccccc1
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
596.147g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
596.591g/mol
Monoisotopic Mass:
596.147g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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