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114371-81-2 | 2H-1-Benzopyran-2-one, 6,7,8-tris(acetyloxy)-
CAS No: 114371-81-2 Catalog No: AG000B75 MDL No:
Product Description
Catalog Number:
AG000B75
Chemical Name:
2H-1-Benzopyran-2-one, 6,7,8-tris(acetyloxy)-
CAS Number:
114371-81-2
Molecular Formula:
C15H12O8
Molecular Weight:
320.2510
IUPAC Name:
(7,8-diacetyloxy-2-oxochromen-6-yl) acetate
InChI:
InChI=1S/C15H12O8/c1-7(16)20-11-6-10-4-5-12(19)23-13(10)15(22-9(3)18)14(11)21-8(2)17/h4-6H,1-3H3
InChI Key:
UBNVKWCUPBJVQI-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc2ccc(=O)oc2c(c1OC(=O)C)OC(=O)C
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.053g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.253g/mol
Monoisotopic Mass:
320.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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