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101577-33-7 | Benzenepentanoic acid, 4-(1,1-dimethylethyl)-δ-oxo-, ethyl ester
CAS No: 101577-33-7 Catalog No: AG0004TJ MDL No:
Product Description
Catalog Number:
AG0004TJ
Chemical Name:
Benzenepentanoic acid, 4-(1,1-dimethylethyl)-δ-oxo-, ethyl ester
CAS Number:
101577-33-7
Molecular Formula:
C17H24O3
Molecular Weight:
276.3707
IUPAC Name:
ethyl 5-(4-tert-butylphenyl)-5-oxopentanoate
InChI:
InChI=1S/C17H24O3/c1-5-20-16(19)8-6-7-15(18)13-9-11-14(12-10-13)17(2,3)4/h9-12H,5-8H2,1-4H3
InChI Key:
OSFBPASCHJVYJC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.376g/mol
Monoisotopic Mass:
276.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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