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Home > Other Heterocycles > 5019-90-9
5019-90-9 | {bicyclo[2.2.2]oct-5-en-2-yl}methanol
CAS No: 5019-90-9 Catalog No: AG01C51Y MDL No:
Product Description
Catalog Number:
AG01C51Y
Chemical Name:
{bicyclo[2.2.2]oct-5-en-2-yl}methanol
CAS Number:
5019-90-9
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
2-bicyclo[2.2.2]oct-5-enylmethanol
InChI:
InChI=1S/C9H14O/c10-6-9-5-7-1-3-8(9)4-2-7/h1,3,7-10H,2,4-6H2
InChI Key:
KOCJWKFHBTXNJS-UHFFFAOYSA-N
SMILES:
OCC1CC2CCC1C=C2
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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