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Home > Aldehydes > 127826-98-6
127826-98-6 | 2-Cyclohexene-1-acetaldehyde, 1,5,5-trimethyl-
CAS No: 127826-98-6 Catalog No: AG000XGP MDL No:
Product Description
Catalog Number:
AG000XGP
Chemical Name:
2-Cyclohexene-1-acetaldehyde, 1,5,5-trimethyl-
CAS Number:
127826-98-6
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
2-(1,5,5-trimethylcyclohex-2-en-1-yl)acetaldehyde
InChI:
InChI=1S/C11H18O/c1-10(2)5-4-6-11(3,9-10)7-8-12/h4,6,8H,5,7,9H2,1-3H3
InChI Key:
RCYWRNPBCCKPEJ-UHFFFAOYSA-N
SMILES:
O=CCC1(C)C=CCC(C1)(C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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