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Home > Other Heterocycles > 56614-57-4
56614-57-4 | (1R,2S,3R,4S);-1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-diol
CAS No: 56614-57-4 Catalog No: AG003BHD MDL No:MFCD07784411
Product Description
Catalog Number:
AG003BHD
Chemical Name:
(1R,2S,3R,4S);-1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-diol
CAS Number:
56614-57-4
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD07784411
IUPAC Name:
(1R,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
InChI:
InChI=1S/C10H18O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8-,10+/m1/s1
InChI Key:
AYEOSGBMQHXVER-DQUBFYRCSA-N
SMILES:
O[C@H]1[C@@H](O)[C@]2(C([C@@H]1CC2)(C)C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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