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115514-10-8 | Benzenepropanoic acid, 4-butoxy-, methyl ester
CAS No: 115514-10-8 Catalog No: AG000G40 MDL No:
Product Description
Catalog Number:
AG000G40
Chemical Name:
Benzenepropanoic acid, 4-butoxy-, methyl ester
CAS Number:
115514-10-8
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
methyl 3-(4-butoxyphenyl)propanoate
InChI:
InChI=1S/C14H20O3/c1-3-4-11-17-13-8-5-12(6-9-13)7-10-14(15)16-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChI Key:
XILPQOSBIMBSMB-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)CCC(=O)OC
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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