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120077-79-4 | Cyclohexanemethanol, 4-ethynyl-
CAS No: 120077-79-4 Catalog No: AG000Q9Q MDL No:MFCD28063953
Product Description
Catalog Number:
AG000Q9Q
Chemical Name:
Cyclohexanemethanol, 4-ethynyl-
CAS Number:
120077-79-4
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
MDL Number:
MFCD28063953
IUPAC Name:
(4-ethynylcyclohexyl)methanol
InChI:
InChI=1S/C9H14O/c1-2-8-3-5-9(7-10)6-4-8/h1,8-10H,3-7H2
InChI Key:
LHNVWCNLKADYSZ-UHFFFAOYSA-N
SMILES:
OCC1CCC(CC1)C#C
Properties
Complexity:
134
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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