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76489-66-2 | Cyclohexanecarboxaldehyde,4-(4-methylpentyl)-
CAS No: 76489-66-2 Catalog No: AG008Q5H MDL No:
Product Description
Catalog Number:
AG008Q5H
Chemical Name:
Cyclohexanecarboxaldehyde,4-(4-methylpentyl)-
CAS Number:
76489-66-2
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
4-(4-methylpentyl)cyclohexane-1-carbaldehyde
InChI:
InChI=1S/C13H24O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h10-13H,3-9H2,1-2H3
InChI Key:
IFDRPWDMFYPZLB-UHFFFAOYSA-N
SMILES:
O=CC1CCC(CC1)CCCC(C)C
EC Number:
278-478-7
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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