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14397-69-4 | 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-[4-(acetyloxy)-3-methoxyphenyl]-3,6-dimethoxy-
CAS No: 14397-69-4 Catalog No: AG001ION MDL No:MFCD20260525
Product Description
Catalog Number:
AG001ION
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-[4-(acetyloxy)-3-methoxyphenyl]-3,6-dimethoxy-
CAS Number:
14397-69-4
Molecular Formula:
C24H22O11
Molecular Weight:
486.4249
MDL Number:
MFCD20260525
IUPAC Name:
[4-(5,7-diacetyloxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] acetate
InChI:
InChI=1S/C24H22O11/c1-11(25)32-15-8-7-14(9-16(15)29-4)21-24(31-6)20(28)19-17(35-21)10-18(33-12(2)26)22(30-5)23(19)34-13(3)27/h7-10H,1-6H3
InChI Key:
DGHDHYGZDLRGBT-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC(=O)C)c1oc2cc(OC(=O)C)c(c(c2c(=O)c1OC)OC(=O)C)OC
Properties
Complexity:
866
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.116g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.429g/mol
Monoisotopic Mass:
486.116g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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