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89657-07-8 | Cyclohexane, 1-cyclopropylidene-4-(1,1-dimethylethyl)-
CAS No: 89657-07-8 Catalog No: AG0044YA MDL No:
Product Description
Catalog Number:
AG0044YA
Chemical Name:
Cyclohexane, 1-cyclopropylidene-4-(1,1-dimethylethyl)-
CAS Number:
89657-07-8
Molecular Formula:
C13H22
Molecular Weight:
178.3138
IUPAC Name:
1-tert-butyl-4-cyclopropylidenecyclohexane
InChI:
InChI=1S/C13H22/c1-13(2,3)12-8-6-11(7-9-12)10-4-5-10/h12H,4-9H2,1-3H3
InChI Key:
MLMNOKCJIRWOLU-UHFFFAOYSA-N
SMILES:
CC(C1CCC(=C2CC2)CC1)(C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.172g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.319g/mol
Monoisotopic Mass:
178.172g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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