Home Aldehydes 3,3-dimethylcyclohexane-1-carbaldehyde

3,3-dimethylcyclohexane-1-carbaldehyde

CAS No.:
99017-89-7
Catalog Number:
AG01AGOH
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
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Product Description
Catalog Number:
AG01AGOH
Chemical Name:
3,3-dimethylcyclohexane-1-carbaldehyde
CAS Number:
99017-89-7
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD21106624
IUPAC Name:
3,3-dimethylcyclohexane-1-carbaldehyde
InChI:
InChI=1S/C9H16O/c1-9(2)5-3-4-8(6-9)7-10/h7-8H,3-6H2,1-2H3
InChI Key:
TUXUBPZOTSIPJA-UHFFFAOYSA-N
SMILES:
O=CC1CCCC(C1)(C)C
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties