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116409-02-0 | 6H-1,3-Dioxolo[4,5-g][1]benzopyran-7-carboxylic acid, 7,8-dihydro-6-methoxy-6-methyl-8-(3,4,5-trimethoxyphenyl)-, ethyl ester
CAS No: 116409-02-0 Catalog No: AG000CFC MDL No:
Product Description
Catalog Number:
AG000CFC
Chemical Name:
6H-1,3-Dioxolo[4,5-g][1]benzopyran-7-carboxylic acid, 7,8-dihydro-6-methoxy-6-methyl-8-(3,4,5-trimethoxyphenyl)-, ethyl ester
CAS Number:
116409-02-0
Molecular Formula:
C24H28O9
Molecular Weight:
460.4737
IUPAC Name:
ethyl 6-methoxy-6-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate
InChI:
InChI=1S/C24H28O9/c1-7-30-23(25)21-20(13-8-18(26-3)22(28-5)19(9-13)27-4)14-10-16-17(32-12-31-16)11-15(14)33-24(21,2)29-6/h8-11,20-21H,7,12H2,1-6H3
InChI Key:
LZOPSNNPWYXREB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(c2cc(OC)c(c(c2)OC)OC)c2cc3OCOc3cc2OC1(C)OC
NSC Number:
381588
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.173g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.479g/mol
Monoisotopic Mass:
460.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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