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87997-42-0 | 2H-1-Benzopyran-2-one, 6,7-bis(benzoyloxy)-
CAS No: 87997-42-0 Catalog No: AG004NYN MDL No:
Product Description
Catalog Number:
AG004NYN
Chemical Name:
2H-1-Benzopyran-2-one, 6,7-bis(benzoyloxy)-
CAS Number:
87997-42-0
Molecular Formula:
C23H14O6
Molecular Weight:
386.3537
IUPAC Name:
(7-benzoyloxy-2-oxochromen-6-yl) benzoate
InChI:
InChI=1S/C23H14O6/c24-21-12-11-17-13-19(28-22(25)15-7-3-1-4-8-15)20(14-18(17)27-21)29-23(26)16-9-5-2-6-10-16/h1-14H
InChI Key:
QBDISGMDJVZAKB-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)cc(c(c2)OC(=O)c1ccccc1)OC(=O)c1ccccc1
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.079g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.359g/mol
Monoisotopic Mass:
386.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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