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88022-53-1 | 2-Propyn-1-one, 3-(1-methoxycyclohexyl)-1-(3-methylphenyl)-
CAS No: 88022-53-1 Catalog No: AG004GJN MDL No:
Product Description
Catalog Number:
AG004GJN
Chemical Name:
2-Propyn-1-one, 3-(1-methoxycyclohexyl)-1-(3-methylphenyl)-
CAS Number:
88022-53-1
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
IUPAC Name:
3-(1-methoxycyclohexyl)-1-(3-methylphenyl)prop-2-yn-1-one
InChI:
InChI=1S/C17H20O2/c1-14-7-6-8-15(13-14)16(18)9-12-17(19-2)10-4-3-5-11-17/h6-8,13H,3-5,10-11H2,1-2H3
InChI Key:
NJXCKFKCYSMLGL-UHFFFAOYSA-N
SMILES:
COC1(CCCCC1)C#CC(=O)c1cccc(c1)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.146g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.345g/mol
Monoisotopic Mass:
256.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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