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136558-13-9 | Pentanoic acid, 5-[(1,1-dimethylethyl)thio]-2,2-dimethyl-4-oxo-, ethyl ester
CAS No: 136558-13-9 Catalog No: AG00122M MDL No:MFCD04116143
Product Description
Catalog Number:
AG00122M
Chemical Name:
Pentanoic acid, 5-[(1,1-dimethylethyl)thio]-2,2-dimethyl-4-oxo-, ethyl ester
CAS Number:
136558-13-9
Molecular Formula:
C13H24O3S
Molecular Weight:
260.3929
MDL Number:
MFCD04116143
IUPAC Name:
ethyl 5-tert-butylsulfanyl-2,2-dimethyl-4-oxopentanoate
InChI:
InChI=1S/C13H24O3S/c1-7-16-11(15)13(5,6)8-10(14)9-17-12(2,3)4/h7-9H2,1-6H3
InChI Key:
JOLZUPPVNMMVAK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CC(=O)CSC(C)(C)C)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.145g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.392g/mol
Monoisotopic Mass:
260.145g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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