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2059926-66-6 | 2-(4,4-dimethylcyclohexyl)cyclopropane-1-carbaldehyde
CAS No: 2059926-66-6 Catalog No: AG01BW42 MDL No:MFCD30476757
Product Description
Catalog Number:
AG01BW42
Chemical Name:
2-(4,4-dimethylcyclohexyl)cyclopropane-1-carbaldehyde
CAS Number:
2059926-66-6
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
MDL Number:
MFCD30476757
IUPAC Name:
2-(4,4-dimethylcyclohexyl)cyclopropane-1-carbaldehyde
InChI:
InChI=1S/C12H20O/c1-12(2)5-3-9(4-6-12)11-7-10(11)8-13/h8-11H,3-7H2,1-2H3
InChI Key:
WELWMDVWYAOBPX-UHFFFAOYSA-N
SMILES:
O=CC1CC1C1CCC(CC1)(C)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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