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16166-97-5 | 2-Cyclooctene-1-carboxylic acid, methyl ester, (Z)- (8CI,9CI)
CAS No: 16166-97-5 Catalog No: AG001VS4 MDL No:
Product Description
Catalog Number:
AG001VS4
Chemical Name:
2-Cyclooctene-1-carboxylic acid, methyl ester, (Z)- (8CI,9CI)
CAS Number:
16166-97-5
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
methyl cyclooct-2-ene-1-carboxylate
InChI:
InChI=1S/C10H16O2/c1-12-10(11)9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3
InChI Key:
KPXFSOAUFBDJJS-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCCCC=C1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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