Home Aldehydes 3,5-dimethylcyclohexane-1-carbaldehyde, Mixture of diastereomers

3,5-dimethylcyclohexane-1-carbaldehyde, Mixture of diastereomers

CAS No.:
855427-94-0
Catalog Number:
AG01DWQ2
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
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Product Description
Catalog Number:
AG01DWQ2
Chemical Name:
3,5-dimethylcyclohexane-1-carbaldehyde, Mixture of diastereomers
CAS Number:
855427-94-0
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD20404945
IUPAC Name:
3,5-dimethylcyclohexane-1-carbaldehyde
InChI:
InChI=1S/C9H16O/c1-7-3-8(2)5-9(4-7)6-10/h6-9H,3-5H2,1-2H3
InChI Key:
QUUHIGZNKCUPOP-UHFFFAOYSA-N
SMILES:
O=CC1CC(C)CC(C1)C
Properties
Complexity:
110  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties