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16825-04-0 | Acetaldehyde, 2-(2,6,6-trimethyl-4-oxo-2-cyclohexen-1-ylidene)-
CAS No: 16825-04-0 Catalog No: AG001XXW MDL No:
Product Description
Catalog Number:
AG001XXW
Chemical Name:
Acetaldehyde, 2-(2,6,6-trimethyl-4-oxo-2-cyclohexen-1-ylidene)-
CAS Number:
16825-04-0
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
2-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)acetaldehyde
InChI:
InChI=1S/C11H14O2/c1-8-6-9(13)7-11(2,3)10(8)4-5-12/h4-6H,7H2,1-3H3
InChI Key:
FBODRUQERKFZCJ-UHFFFAOYSA-N
SMILES:
O=CC=C1C(=CC(=O)CC1(C)C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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