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101498-88-8 | Benzenepropanoic acid, 4-(1,1-dimethylethyl)-β-oxo-, ethyl ester
CAS No: 101498-88-8 Catalog No: AG0004MP MDL No:MFCD03424822
Product Description
Catalog Number:
AG0004MP
Chemical Name:
Benzenepropanoic acid, 4-(1,1-dimethylethyl)-β-oxo-, ethyl ester
CAS Number:
101498-88-8
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
MDL Number:
MFCD03424822
IUPAC Name:
ethyl 3-(4-tert-butylphenyl)-3-oxopropanoate
InChI:
InChI=1S/C15H20O3/c1-5-18-14(17)10-13(16)11-6-8-12(9-7-11)15(2,3)4/h6-9H,5,10H2,1-4H3
InChI Key:
AEGOOHDAUMBYHG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
293
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:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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