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88166-21-6 | Cyclohexaneacetaldehyde, 4-(1,1-dimethylethyl)-
CAS No: 88166-21-6 Catalog No: AG004H1O MDL No:
Product Description
Catalog Number:
AG004H1O
Chemical Name:
Cyclohexaneacetaldehyde, 4-(1,1-dimethylethyl)-
CAS Number:
88166-21-6
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
2-(4-tert-butylcyclohexyl)acetaldehyde
InChI:
InChI=1S/C12H22O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h9-11H,4-8H2,1-3H3
InChI Key:
HIIVFCPSWQQHEF-UHFFFAOYSA-N
SMILES:
O=CCC1CCC(CC1)C(C)(C)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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