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138729-63-2 | Benzenedecanoic acid, 2,3,4-trimethoxy-6-methyl-, ethyl ester
CAS No: 138729-63-2 Catalog No: AG0019F6 MDL No:
Product Description
Catalog Number:
AG0019F6
Chemical Name:
Benzenedecanoic acid, 2,3,4-trimethoxy-6-methyl-, ethyl ester
CAS Number:
138729-63-2
Molecular Formula:
C22H36O5
Molecular Weight:
380.5182
IUPAC Name:
ethyl 10-(2,3,4-trimethoxy-6-methylphenyl)decanoate
InChI:
InChI=1S/C22H36O5/c1-6-27-20(23)15-13-11-9-7-8-10-12-14-18-17(2)16-19(24-3)22(26-5)21(18)25-4/h16H,6-15H2,1-5H3
InChI Key:
JWLOPMQJYGPBAQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCCCCc1c(C)cc(c(c1OC)OC)OC
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.256g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.525g/mol
Monoisotopic Mass:
380.256g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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