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Home > Other Heterocycles > 18084-01-0
18084-01-0 | Bicyclo[2.2.1]heptan-2-ol, 2-ethynyl-1,3,3-trimethyl-
CAS No: 18084-01-0 Catalog No: AG0022E8 MDL No:
Product Description
Catalog Number:
AG0022E8
Chemical Name:
Bicyclo[2.2.1]heptan-2-ol, 2-ethynyl-1,3,3-trimethyl-
CAS Number:
18084-01-0
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
2-ethynyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
InChI:
InChI=1S/C12H18O/c1-5-12(13)10(2,3)9-6-7-11(12,4)8-9/h1,9,13H,6-8H2,2-4H3
InChI Key:
ITXKRWUEVAGQKF-UHFFFAOYSA-N
SMILES:
C#CC1(O)C2(C)CCC(C1(C)C)C2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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