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144688-05-1 | Butanoic acid, 3,5-dimethoxyphenyl ester
CAS No: 144688-05-1 Catalog No: AG001K0L MDL No:
Product Description
Catalog Number:
AG001K0L
Chemical Name:
Butanoic acid, 3,5-dimethoxyphenyl ester
CAS Number:
144688-05-1
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
(3,5-dimethoxyphenyl) butanoate
InChI:
InChI=1S/C12H16O4/c1-4-5-12(13)16-11-7-9(14-2)6-10(8-11)15-3/h6-8H,4-5H2,1-3H3
InChI Key:
UDYCIUMNQQUPER-UHFFFAOYSA-N
SMILES:
CCCC(=O)Oc1cc(OC)cc(c1)OC
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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