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58012-34-3 | 4-Oxocyclohexaneacetic acid ethyl ester
CAS No: 58012-34-3 Catalog No: AG003959 MDL No:MFCD11045783
Product Description
Catalog Number:
AG003959
Chemical Name:
4-Oxocyclohexaneacetic acid ethyl ester
CAS Number:
58012-34-3
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
MDL Number:
MFCD11045783
IUPAC Name:
ethyl 2-(4-oxocyclohexyl)acetate
InChI:
InChI=1S/C10H16O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8H,2-7H2,1H3
InChI Key:
XHNJFNLTFMAPQB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1CCC(=O)CC1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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