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Home > Other Heterocycles > 1603534-19-5
1603534-19-5 | 1-{bicyclo[2.2.1]heptan-2-yl}but-3-en-2-ol
CAS No: 1603534-19-5 Catalog No: AG01BCXD MDL No:MFCD28012338
Product Description
Catalog Number:
AG01BCXD
Chemical Name:
1-{bicyclo[2.2.1]heptan-2-yl}but-3-en-2-ol
CAS Number:
1603534-19-5
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
MDL Number:
MFCD28012338
IUPAC Name:
1-(2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol
InChI:
InChI=1S/C11H18O/c1-2-11(12)7-10-6-8-3-4-9(10)5-8/h2,8-12H,1,3-7H2
InChI Key:
AIXNUOOVGKWJBW-UHFFFAOYSA-N
SMILES:
C=CC(CC1CC2CC1CC2)O
Properties
Complexity:
176
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:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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