Home Carboxys Methyl 2-oxocyclooctanecarboxylate

Methyl 2-oxocyclooctanecarboxylate

CAS No.:
5452-73-3
Catalog Number:
AG003RP3
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
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Product Description
Catalog Number:
AG003RP3
Chemical Name:
Methyl 2-oxocyclooctanecarboxylate
CAS Number:
5452-73-3
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
MDL Number:
MFCD01660390
IUPAC Name:
methyl 2-oxocyclooctane-1-carboxylate
InChI:
InChI=1S/C10H16O3/c1-13-10(12)8-6-4-2-3-5-7-9(8)11/h8H,2-7H2,1H3
InChI Key:
FAADEEISKNEKDP-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCCCCC1=O
NSC Number:
18982
Properties
Complexity:
198  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties