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20691-52-5 | Cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)-
CAS No: 20691-52-5 Catalog No: AG002IS1 MDL No:MFCD17276644
Product Description
Catalog Number:
AG002IS1
Chemical Name:
Cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)-
CAS Number:
20691-52-5
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
MDL Number:
MFCD17276644
IUPAC Name:
4-tert-butylcyclohexane-1-carbaldehyde
InChI:
InChI=1S/C11H20O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h8-10H,4-7H2,1-3H3
InChI Key:
MXGRYXNVQNESIN-UHFFFAOYSA-N
SMILES:
O=CC1CCC(CC1)C(C)(C)C
EC Number:
243-974-4
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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