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472-66-2 | 2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde
CAS No: 472-66-2 Catalog No: AG003G1H MDL No:MFCD00012057
Product Description
Catalog Number:
AG003G1H
Chemical Name:
2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde
CAS Number:
472-66-2
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
MDL Number:
MFCD00012057
IUPAC Name:
2-(2,6,6-trimethylcyclohexen-1-yl)acetaldehyde
InChI:
InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3
InChI Key:
VHTFHZGAMYUZEP-UHFFFAOYSA-N
SMILES:
O=CCC1=C(C)CCCC1(C)C
EC Number:
207-454-0
UNII:
CQ51RNO61H
FEMA Number:
3474
Properties
Complexity:
211
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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