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141895-72-9 | Cyclohexanol, 4-ethynyl-
CAS No: 141895-72-9 Catalog No: AG001HC9 MDL No:MFCD24529237
Product Description
Catalog Number:
AG001HC9
Chemical Name:
Cyclohexanol, 4-ethynyl-
CAS Number:
141895-72-9
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
MDL Number:
MFCD24529237
IUPAC Name:
4-ethynylcyclohexan-1-ol
InChI:
InChI=1S/C8H12O/c1-2-7-3-5-8(9)6-4-7/h1,7-9H,3-6H2
InChI Key:
XZDCGONRANCJLK-UHFFFAOYSA-N
SMILES:
OC1CCC(CC1)C#C
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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