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127230-66-4 | Cyclohexanecarboxylic acid, 3-(3-buten-1-yl)-2-oxo-, ethyl ester
CAS No: 127230-66-4 Catalog No: AG000WS7 MDL No:
Product Description
Catalog Number:
AG000WS7
Chemical Name:
Cyclohexanecarboxylic acid, 3-(3-buten-1-yl)-2-oxo-, ethyl ester
CAS Number:
127230-66-4
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
ethyl 3-but-3-enyl-2-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C13H20O3/c1-3-5-7-10-8-6-9-11(12(10)14)13(15)16-4-2/h3,10-11H,1,4-9H2,2H3
InChI Key:
NBWDGGPAJJEMLO-UHFFFAOYSA-N
SMILES:
C=CCCC1CCCC(C1=O)C(=O)OCC
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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