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2616-94-6 | Cyclooctanecarboxylic acid, 5-oxo-, methyl ester
CAS No: 2616-94-6 Catalog No: AG002RXA MDL No:
Product Description
Catalog Number:
AG002RXA
Chemical Name:
Cyclooctanecarboxylic acid, 5-oxo-, methyl ester
CAS Number:
2616-94-6
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
methyl 5-oxocyclooctane-1-carboxylate
InChI:
InChI=1S/C10H16O3/c1-13-10(12)8-4-2-6-9(11)7-3-5-8/h8H,2-7H2,1H3
InChI Key:
LZQCKNVPSJRBKE-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCC(=O)CCC1
Properties
Complexity:
186
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:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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