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156809-09-5 | 1,3-Benzodioxole-5-carboxylic acid, 4-[6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl]-, ethyl ester
CAS No: 156809-09-5 Catalog No: AG001P0M MDL No:
Product Description
Catalog Number:
AG001P0M
Chemical Name:
1,3-Benzodioxole-5-carboxylic acid, 4-[6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl]-, ethyl ester
CAS Number:
156809-09-5
Molecular Formula:
C22H24O9
Molecular Weight:
432.4206
IUPAC Name:
ethyl 4-(6-ethoxycarbonyl-2,3,4-trimethoxyphenyl)-1,3-benzodioxole-5-carboxylate
InChI:
InChI=1S/C22H24O9/c1-6-28-21(23)12-8-9-14-18(31-11-30-14)16(12)17-13(22(24)29-7-2)10-15(25-3)19(26-4)20(17)27-5/h8-10H,6-7,11H2,1-5H3
InChI Key:
BSYHXJMLZRHNHU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(OC)c(c(c1c1c(ccc2c1OCO2)C(=O)OCC)OC)OC
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.142g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.425g/mol
Monoisotopic Mass:
432.142g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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