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89326-66-9 | Benzenepropanoic acid, 4-(1-oxobutyl)-, ethyl ester
CAS No: 89326-66-9 Catalog No: AG003ZKS MDL No:
Product Description
Catalog Number:
AG003ZKS
Chemical Name:
Benzenepropanoic acid, 4-(1-oxobutyl)-, ethyl ester
CAS Number:
89326-66-9
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
IUPAC Name:
ethyl 3-(4-butanoylphenyl)propanoate
InChI:
InChI=1S/C15H20O3/c1-3-5-14(16)13-9-6-12(7-10-13)8-11-15(17)18-4-2/h6-7,9-10H,3-5,8,11H2,1-2H3
InChI Key:
AQDCDBPIAFPTHG-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc(cc1)CCC(=O)OCC
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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