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88166-22-7 | Cyclohexanepropanal, 4-(1,1-dimethylethyl)-
CAS No: 88166-22-7 Catalog No: AG004DBD MDL No:
Product Description
Catalog Number:
AG004DBD
Chemical Name:
Cyclohexanepropanal, 4-(1,1-dimethylethyl)-
CAS Number:
88166-22-7
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
3-(4-tert-butylcyclohexyl)propanal
InChI:
InChI=1S/C13H24O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h10-12H,4-9H2,1-3H3
InChI Key:
PTMDNZHOOMOTRA-UHFFFAOYSA-N
SMILES:
O=CCCC1CCC(CC1)C(C)(C)C
Properties
Complexity:
170
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:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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