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Home > Aldehydes > 394734-96-4
394734-96-4 | 4,4-dimethylcyclohexane-1-carbaldehyde
CAS No: 394734-96-4 Catalog No: AG01A0IF MDL No:MFCD21321797
Product Description
Catalog Number:
AG01A0IF
Chemical Name:
4,4-dimethylcyclohexane-1-carbaldehyde
CAS Number:
394734-96-4
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD21321797
IUPAC Name:
4,4-dimethylcyclohexane-1-carbaldehyde
InChI:
InChI=1S/C9H16O/c1-9(2)5-3-8(7-10)4-6-9/h7-8H,3-6H2,1-2H3
InChI Key:
AAEIBLQPASHLSV-UHFFFAOYSA-N
SMILES:
O=CC1CCC(CC1)(C)C
Properties
Complexity:
117
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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