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73826-24-1 | ETHYL BETA-(3,4-DIMETHOXYPHENYL)BUTYRATE
CAS No: 73826-24-1 Catalog No: AG005KBM MDL No:
Product Description
Catalog Number:
AG005KBM
Chemical Name:
ETHYL BETA-(3,4-DIMETHOXYPHENYL)BUTYRATE
CAS Number:
73826-24-1
Molecular Formula:
C14H20O4
Molecular Weight:
252.3062
IUPAC Name:
ethyl 3-(3,4-dimethoxyphenyl)butanoate
InChI:
InChI=1S/C14H20O4/c1-5-18-14(15)8-10(2)11-6-7-12(16-3)13(9-11)17-4/h6-7,9-10H,5,8H2,1-4H3
InChI Key:
LZZJSYNMSVCMEK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(c1ccc(c(c1)OC)OC)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.31g/mol
Monoisotopic Mass:
252.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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