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Home > Other Heterocycles > 67671-06-1
67671-06-1 | Bicyclo[2.2.1]hept-5-ene-2-methanol, (1R,2R,4R)-
CAS No: 67671-06-1 Catalog No: AG00644K MDL No:
Product Description
Catalog Number:
AG00644K
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-methanol, (1R,2R,4R)-
CAS Number:
67671-06-1
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methanol
InChI:
InChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2/t6-,7+,8+/m1/s1
InChI Key:
LUMNWCHHXDUKFI-CSMHCCOUSA-N
SMILES:
OC[C@@H]1C[C@H]2C[C@@H]1C=C2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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