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33697-53-9 | Ethyl 2-ethyl-2-methyl-3-oxobutanoate
CAS No: 33697-53-9 Catalog No: AG003H6W MDL No:MFCD00191433
Product Description
Catalog Number:
AG003H6W
Chemical Name:
Ethyl 2-ethyl-2-methyl-3-oxobutanoate
CAS Number:
33697-53-9
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD00191433
IUPAC Name:
ethyl 2-ethyl-2-methyl-3-oxobutanoate
InChI:
InChI=1S/C9H16O3/c1-5-9(4,7(3)10)8(11)12-6-2/h5-6H2,1-4H3
InChI Key:
NWMTWESXONQJPU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)(CC)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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