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Home > Other Heterocycles > 6221-36-9
6221-36-9 | [(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl]methanol
CAS No: 6221-36-9 Catalog No: AG01B6A5 MDL No:MFCD30170980
Product Description
Catalog Number:
AG01B6A5
Chemical Name:
[(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl]methanol
CAS Number:
6221-36-9
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD30170980
IUPAC Name:
[(1R,5R)-3-bicyclo[3.1.0]hexanyl]methanol
InChI:
InChI=1S/C7H12O/c8-4-5-1-6-3-7(6)2-5/h5-8H,1-4H2/t6-,7-/m0/s1
InChI Key:
UPIIUAPEQOCMGL-BQBZGAKWSA-N
SMILES:
OC[C@@H]1C[C@H]2[C@@H](C1)C2
Properties
Complexity:
90.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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