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15564-30-4 | Cyclohexanol, 1-ethynyl-2-methyl-
CAS No: 15564-30-4 Catalog No: AG001O3R MDL No:
Product Description
Catalog Number:
AG001O3R
Chemical Name:
Cyclohexanol, 1-ethynyl-2-methyl-
CAS Number:
15564-30-4
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
1-ethynyl-2-methylcyclohexan-1-ol
InChI:
InChI=1S/C9H14O/c1-3-9(10)7-5-4-6-8(9)2/h1,8,10H,4-7H2,2H3
InChI Key:
PMCQAVDMFZFUEH-UHFFFAOYSA-N
SMILES:
C#CC1(O)CCCCC1C
NSC Number:
37636
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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