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Home > Other Heterocycles > 147950-48-9
147950-48-9 | Bicyclo[4.1.0]heptan-1-ol, 5-(3-buten-1-yl)-
CAS No: 147950-48-9 Catalog No: AG001FBD MDL No:
Product Description
Catalog Number:
AG001FBD
Chemical Name:
Bicyclo[4.1.0]heptan-1-ol, 5-(3-buten-1-yl)-
CAS Number:
147950-48-9
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
5-but-3-enylbicyclo[4.1.0]heptan-1-ol
InChI:
InChI=1S/C11H18O/c1-2-3-5-9-6-4-7-11(12)8-10(9)11/h2,9-10,12H,1,3-8H2
InChI Key:
VTAKVKLCCICGLP-UHFFFAOYSA-N
SMILES:
C=CCCC1CCCC2(C1C2)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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