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89057-46-5 | Cyclohexanol, 1-[[1-(acetyloxy)cyclohexyl]ethynyl]-
CAS No: 89057-46-5 Catalog No: AG0041D7 MDL No:
Product Description
Catalog Number:
AG0041D7
Chemical Name:
Cyclohexanol, 1-[[1-(acetyloxy)cyclohexyl]ethynyl]-
CAS Number:
89057-46-5
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
[1-[2-(1-hydroxycyclohexyl)ethynyl]cyclohexyl] acetate
InChI:
InChI=1S/C16H24O3/c1-14(17)19-16(10-6-3-7-11-16)13-12-15(18)8-4-2-5-9-15/h18H,2-11H2,1H3
InChI Key:
USGJRAZNSRQPLD-UHFFFAOYSA-N
SMILES:
CC(=O)OC1(CCCCC1)C#CC1(O)CCCCC1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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