200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 87969-58-2
87969-58-2 | Bicyclo[2.1.1]hexan-2-ol, 1-methyl-
CAS No: 87969-58-2 Catalog No: AG004E85 MDL No:
Product Description
Catalog Number:
AG004E85
Chemical Name:
Bicyclo[2.1.1]hexan-2-ol, 1-methyl-
CAS Number:
87969-58-2
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
1-methylbicyclo[2.1.1]hexan-2-ol
InChI:
InChI=1S/C7H12O/c1-7-3-5(4-7)2-6(7)8/h5-6,8H,2-4H2,1H3
InChI Key:
KABYAYRKZARQQO-UHFFFAOYSA-N
SMILES:
OC1CC2CC1(C)C2
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.