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Home > Other Heterocycles > 200883-45-0
200883-45-0 | Bicyclo[4.1.0]heptan-2-ol, (1R,2S,6S)-
CAS No: 200883-45-0 Catalog No: AG002D22 MDL No:
Product Description
Catalog Number:
AG002D22
Chemical Name:
Bicyclo[4.1.0]heptan-2-ol, (1R,2S,6S)-
CAS Number:
200883-45-0
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
(1R,2S,6S)-bicyclo[4.1.0]heptan-2-ol
InChI:
InChI=1S/C7H12O/c8-7-3-1-2-5-4-6(5)7/h5-8H,1-4H2/t5-,6+,7-/m0/s1
InChI Key:
YUZVFUMVDCKMOI-XVMARJQXSA-N
SMILES:
O[C@H]1CCC[C@@H]2[C@H]1C2
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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