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88692-75-5 | Cyclohexanol, 2-[(3-iodo-2-propynyl)oxy]-
CAS No: 88692-75-5 Catalog No: AG0047NK MDL No:
Product Description
Catalog Number:
AG0047NK
Chemical Name:
Cyclohexanol, 2-[(3-iodo-2-propynyl)oxy]-
CAS Number:
88692-75-5
Molecular Formula:
C9H13IO2
Molecular Weight:
280.1028
IUPAC Name:
2-(3-iodoprop-2-ynoxy)cyclohexan-1-ol
InChI:
InChI=1S/C9H13IO2/c10-6-3-7-12-9-5-2-1-4-8(9)11/h8-9,11H,1-2,4-5,7H2
InChI Key:
RRJWHGZQCIDFCU-UHFFFAOYSA-N
SMILES:
IC#CCOC1CCCCC1O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.105g/mol
Monoisotopic Mass:
279.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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