CAS 1193-81-3 | Cyclohexanemethanol, α-methyl- | CAS Number 1193-81-3

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1193-81-3 | Cyclohexanemethanol, α-methyl-

CAS No: 1193-81-3 Catalog No: AG000IJQ MDL No:MFCD00001475

Product Description

Catalog Number:

AG000IJQ

Chemical Name:

Cyclohexanemethanol, α-methyl-

CAS Number:

1193-81-3

Molecular Formula:

C8H16O

Molecular Weight:

128.2120

MDL Number:

MFCD00001475

IUPAC Name:

1-cyclohexylethanol

InChI:

InChI=1S/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3

InChI Key:

JMSUNAQVHOHLMX-UHFFFAOYSA-N

SMILES:

CC(C1CCCCC1)O

EC Number:

214-780-7

Properties

Complexity:

74.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

128.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

128.215g/mol

Monoisotopic Mass:

128.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Comparative analysis of skin surface lipids of the labia majora, inner thigh, and forearm.	Skin pharmacology and physiology 20110101
1,4-Dibenzyl-piperazine.	Acta crystallographica. Section E, Structure reports online 20101201
Surface induced hydrogen-bonded macrocluster formation of methanol on silica surfaces.	Langmuir : the ACS journal of surfaces and colloids 20051011
Hydrogen-bonded macrocluster formation of ethanol on silica surfaces in cyclohexane(1).	Journal of the American Chemical Society 20021030