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119488-70-9 | CYCLOHEXANEACETALDEHYDE, 4-BUTYL-, TRANS-
CAS No: 119488-70-9 Catalog No: AG000IUT MDL No:
Product Description
Catalog Number:
AG000IUT
Chemical Name:
CYCLOHEXANEACETALDEHYDE, 4-BUTYL-, TRANS-
CAS Number:
119488-70-9
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
2-(4-butylcyclohexyl)acetaldehyde
InChI:
InChI=1S/C12H22O/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h10-12H,2-9H2,1H3
InChI Key:
KUXPAAMQBMSTLK-UHFFFAOYSA-N
SMILES:
CCCC[C@@H]1CC[C@H](CC1)CC=O
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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