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127782-77-8 | Cyclohexanol, 1-[2-(1-methyl-1H-imidazol-2-yl)-2-propen-1-yl]-
CAS No: 127782-77-8 Catalog No: AG000XEA MDL No:
Product Description
Catalog Number:
AG000XEA
Chemical Name:
Cyclohexanol, 1-[2-(1-methyl-1H-imidazol-2-yl)-2-propen-1-yl]-
CAS Number:
127782-77-8
Molecular Formula:
C13H20N2O
Molecular Weight:
220.3107
IUPAC Name:
1-[2-(1-methylimidazol-2-yl)prop-2-enyl]cyclohexan-1-ol
InChI:
InChI=1S/C13H20N2O/c1-11(12-14-8-9-15(12)2)10-13(16)6-4-3-5-7-13/h8-9,16H,1,3-7,10H2,2H3
InChI Key:
WYNKVXDCGLPPKS-UHFFFAOYSA-N
SMILES:
C=C(c1nccn1C)CC1(O)CCCCC1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.158g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.316g/mol
Monoisotopic Mass:
220.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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