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Home > Other Heterocycles > 68330-44-9
68330-44-9 | Bicyclo[2.2.1]heptan-2-ol, 1,2,7-trimethyl-, (1S,2S,4S,7S)- (9CI)
CAS No: 68330-44-9 Catalog No: AG00646X MDL No:
Product Description
Catalog Number:
AG00646X
Chemical Name:
Bicyclo[2.2.1]heptan-2-ol, 1,2,7-trimethyl-, (1S,2S,4S,7S)- (9CI)
CAS Number:
68330-44-9
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
(1S,2S,4S,7S)-1,2,7-trimethylbicyclo[2.2.1]heptan-2-ol
InChI:
InChI=1S/C10H18O/c1-7-8-4-5-9(7,2)10(3,11)6-8/h7-8,11H,4-6H2,1-3H3/t7-,8-,9-,10-/m0/s1
InChI Key:
NNGICADJLLZNEX-XKNYDFJKSA-N
SMILES:
C[C@H]1[C@H]2CC[C@]1(C)[C@@](C2)(C)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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