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117090-85-4 | Pentanoic acid, 2-ethyl-3-oxo-, ethyl ester
CAS No: 117090-85-4 Catalog No: AG000DPA MDL No:
Product Description
Catalog Number:
AG000DPA
Chemical Name:
Pentanoic acid, 2-ethyl-3-oxo-, ethyl ester
CAS Number:
117090-85-4
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
ethyl 2-ethyl-3-oxopentanoate
InChI:
InChI=1S/C9H16O3/c1-4-7(8(10)5-2)9(11)12-6-3/h7H,4-6H2,1-3H3
InChI Key:
MJPUHPKVTAZJOZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)CC)CC
Properties
Complexity:
163
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:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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