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89654-34-2 | Oxetane, 2-[4-(1,1-dimethylethyl)cyclohexylidene]-
CAS No: 89654-34-2 Catalog No: AG0043ZB MDL No:
Product Description
Catalog Number:
AG0043ZB
Chemical Name:
Oxetane, 2-[4-(1,1-dimethylethyl)cyclohexylidene]-
CAS Number:
89654-34-2
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
2-(4-tert-butylcyclohexylidene)oxetane
InChI:
InChI=1S/C13H22O/c1-13(2,3)11-6-4-10(5-7-11)12-8-9-14-12/h11H,4-9H2,1-3H3
InChI Key:
NQSIIOAUQDERKO-UHFFFAOYSA-N
SMILES:
CC(C1CCC(=C2CCO2)CC1)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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