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7152-15-0 | Ethyl Isobutyrylacetate
CAS No: 7152-15-0 Catalog No: AG0034WB MDL No:MFCD00009198
Product Description
Catalog Number:
AG0034WB
Chemical Name:
Ethyl Isobutyrylacetate
CAS Number:
7152-15-0
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD00009198
IUPAC Name:
ethyl 4-methyl-3-oxopentanoate
InChI:
InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3
InChI Key:
XCLDSQRVMMXWMS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C(C)C
EC Number:
230-491-9
NSC Number:
62029
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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