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2105-40-0 | Cyclohexanemethanol, 2-methyl-
CAS No: 2105-40-0 Catalog No: AG002KTN MDL No:MFCD21324347
Product Description
Catalog Number:
AG002KTN
Chemical Name:
Cyclohexanemethanol, 2-methyl-
CAS Number:
2105-40-0
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD21324347
IUPAC Name:
(2-methylcyclohexyl)methanol
InChI:
InChI=1S/C8H16O/c1-7-4-2-3-5-8(7)6-9/h7-9H,2-6H2,1H3
InChI Key:
NIDINIHOPRFWFJ-UHFFFAOYSA-N
SMILES:
OCC1CCCCC1C
NSC Number:
19178
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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