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31162-52-4 | 1-Cyclohexene-1-carboxaldehyde, 2,5,6,6-tetramethyl-
CAS No: 31162-52-4 Catalog No: AG007IGU MDL No:
Product Description
Catalog Number:
AG007IGU
Chemical Name:
1-Cyclohexene-1-carboxaldehyde, 2,5,6,6-tetramethyl-
CAS Number:
31162-52-4
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
2,5,6,6-tetramethylcyclohexene-1-carbaldehyde
InChI:
InChI=1S/C11H18O/c1-8-5-6-9(2)11(3,4)10(8)7-12/h7,9H,5-6H2,1-4H3
InChI Key:
KLDYJKVPXAEPBK-UHFFFAOYSA-N
SMILES:
O=CC1=C(C)CCC(C1(C)C)C
Properties
Complexity:
223
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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