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138680-85-0 | 4H-1-Benzopyran-4-one, 2,6-bis(acetyloxy)-5,7-dihydroxy-8-methoxy-
CAS No: 138680-85-0 Catalog No: AG0018ZK MDL No:
Product Description
Catalog Number:
AG0018ZK
Chemical Name:
4H-1-Benzopyran-4-one, 2,6-bis(acetyloxy)-5,7-dihydroxy-8-methoxy-
CAS Number:
138680-85-0
Molecular Formula:
C14H12O9
Molecular Weight:
324.2397
IUPAC Name:
(6-acetyloxy-5,7-dihydroxy-8-methoxy-4-oxochromen-2-yl) acetate
InChI:
InChI=1S/C14H12O9/c1-5(15)21-8-4-7(17)9-10(18)13(22-6(2)16)11(19)14(20-3)12(9)23-8/h4,18-19H,1-3H3
InChI Key:
ZXVNBPZCUAZUGU-UHFFFAOYSA-N
SMILES:
COc1c(O)c(OC(=O)C)c(c2c1oc(OC(=O)C)cc2=O)O
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.048g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.241g/mol
Monoisotopic Mass:
324.048g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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