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116409-00-8 | 6H-1,3-Dioxolo[4,5-g][1]benzopyran-7-carboxylic acid, 7,8-dihydro-6-methyl-6-(1-pyrrolidinyl)-8-(3,4,5-trimethoxyphenyl)-, ethyl ester
CAS No: 116409-00-8 Catalog No: AG000CFD MDL No:
Product Description
Catalog Number:
AG000CFD
Chemical Name:
6H-1,3-Dioxolo[4,5-g][1]benzopyran-7-carboxylic acid, 7,8-dihydro-6-methyl-6-(1-pyrrolidinyl)-8-(3,4,5-trimethoxyphenyl)-, ethyl ester
CAS Number:
116409-00-8
Molecular Formula:
C27H33NO8
Molecular Weight:
499.5528
IUPAC Name:
ethyl 6-methyl-6-pyrrolidin-1-yl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate
InChI:
InChI=1S/C27H33NO8/c1-6-33-26(29)24-23(16-11-21(30-3)25(32-5)22(12-16)31-4)17-13-19-20(35-15-34-19)14-18(17)36-27(24,2)28-9-7-8-10-28/h11-14,23-24H,6-10,15H2,1-5H3
InChI Key:
AYIQTEGLGSNULP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(c2cc(OC)c(c(c2)OC)OC)c2cc3OCOc3cc2OC1(C)N1CCCC1
NSC Number:
371016
Properties
Complexity:
748
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.221g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
499.56g/mol
Monoisotopic Mass:
499.221g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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