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738597-12-1 | Bicyclo[2.2.1]heptan-2-ol, 2-(2-furanyl)-, (1S,2S,4R)-
CAS No: 738597-12-1 Catalog No: AG005AYI MDL No:
Product Description
Catalog Number:
AG005AYI
Chemical Name:
Bicyclo[2.2.1]heptan-2-ol, 2-(2-furanyl)-, (1S,2S,4R)-
CAS Number:
738597-12-1
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
(1S,2S,4R)-2-(furan-2-yl)bicyclo[2.2.1]heptan-2-ol
InChI:
InChI=1S/C11H14O2/c12-11(10-2-1-5-13-10)7-8-3-4-9(11)6-8/h1-2,5,8-9,12H,3-4,6-7H2/t8-,9+,11+/m1/s1
InChI Key:
UKNYRFGBFJUDLS-YWVKMMECSA-N
SMILES:
O[C@]1(C[C@H]2C[C@@H]1CC2)c1ccco1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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