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23246-80-2 | 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-8-methoxy-2-phenyl-
CAS No: 23246-80-2 Catalog No: AG002MNC MDL No:MFCD19441003
Product Description
Catalog Number:
AG002MNC
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-8-methoxy-2-phenyl-
CAS Number:
23246-80-2
Molecular Formula:
C20H16O7
Molecular Weight:
368.3368
MDL Number:
MFCD19441003
IUPAC Name:
(7-acetyloxy-8-methoxy-4-oxo-2-phenylchromen-5-yl) acetate
InChI:
InChI=1S/C20H16O7/c1-11(21)25-16-10-17(26-12(2)22)19(24-3)20-18(16)14(23)9-15(27-20)13-7-5-4-6-8-13/h4-10H,1-3H3
InChI Key:
MPPVJYIDQFOAJU-UHFFFAOYSA-N
SMILES:
COc1c(OC(=O)C)cc(c2c1oc(cc2=O)c1ccccc1)OC(=O)C
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.09g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.341g/mol
Monoisotopic Mass:
368.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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