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90486-71-8 | Cyclohexanecarboxaldehyde, 2-acetyl-6-methyl-
CAS No: 90486-71-8 Catalog No: AG006D02 MDL No:
Product Description
Catalog Number:
AG006D02
Chemical Name:
Cyclohexanecarboxaldehyde, 2-acetyl-6-methyl-
CAS Number:
90486-71-8
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
2-acetyl-6-methylcyclohexane-1-carbaldehyde
InChI:
InChI=1S/C10H16O2/c1-7-4-3-5-9(8(2)12)10(7)6-11/h6-7,9-10H,3-5H2,1-2H3
InChI Key:
FRZGWYDJSQUBTP-UHFFFAOYSA-N
SMILES:
O=CC1C(C)CCCC1C(=O)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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