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88386-36-1 | Cyclohexanecarboxaldehyde, 1-(1-methyl-3-oxobutyl)-
CAS No: 88386-36-1 Catalog No: AG004FQY MDL No:
Product Description
Catalog Number:
AG004FQY
Chemical Name:
Cyclohexanecarboxaldehyde, 1-(1-methyl-3-oxobutyl)-
CAS Number:
88386-36-1
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
1-(4-oxopentan-2-yl)cyclohexane-1-carbaldehyde
InChI:
InChI=1S/C12H20O2/c1-10(8-11(2)14)12(9-13)6-4-3-5-7-12/h9-10H,3-8H2,1-2H3
InChI Key:
ZFKRDMMTFVZPBV-UHFFFAOYSA-N
SMILES:
O=CC1(CCCCC1)C(CC(=O)C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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