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Home > Aldehydes > 138117-26-7
138117-26-7 | Cyclohexanecarboxaldehyde, 2-methyl-5-(1-methylethylidene)-
CAS No: 138117-26-7 Catalog No: AG00180I MDL No:
Product Description
Catalog Number:
AG00180I
Chemical Name:
Cyclohexanecarboxaldehyde, 2-methyl-5-(1-methylethylidene)-
CAS Number:
138117-26-7
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
2-methyl-5-propan-2-ylidenecyclohexane-1-carbaldehyde
InChI:
InChI=1S/C11H18O/c1-8(2)10-5-4-9(3)11(6-10)7-12/h7,9,11H,4-6H2,1-3H3
InChI Key:
CPLXOQWABJBMMH-UHFFFAOYSA-N
SMILES:
O=CC1CC(=C(C)C)CCC1C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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