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Home > Other Heterocycles > 29583-34-4
29583-34-4 | Bicyclo[2.2.1]heptan-2-ol, (1R,2R,4S)-
CAS No: 29583-34-4 Catalog No: AG002YU3 MDL No:MFCD00136051
Product Description
Catalog Number:
AG002YU3
Chemical Name:
Bicyclo[2.2.1]heptan-2-ol, (1R,2R,4S)-
CAS Number:
29583-34-4
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD00136051
IUPAC Name:
(1R,2R,4S)-bicyclo[2.2.1]heptan-2-ol
InChI:
InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7+/m0/s1
InChI Key:
ZQTYQMYDIHMKQB-RRKCRQDMSA-N
SMILES:
O[C@@H]1C[C@@H]2C[C@H]1CC2
UNII:
X3I1L0DS1A
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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