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158038-41-6 | Pentanoic acid, 4-oxo-2-propyl-, ethyl ester
CAS No: 158038-41-6 Catalog No: AG001PX8 MDL No:
Product Description
Catalog Number:
AG001PX8
Chemical Name:
Pentanoic acid, 4-oxo-2-propyl-, ethyl ester
CAS Number:
158038-41-6
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
ethyl 4-oxo-2-propylpentanoate
InChI:
InChI=1S/C10H18O3/c1-4-6-9(7-8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3
InChI Key:
LVLLQUUNTDQPIA-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)OCC)CC(=O)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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