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23069-11-6 | 1,3-Cyclohexadiene-1-carboxaldehyde, 4-ethoxy-2,6,6-trimethyl-
CAS No: 23069-11-6 Catalog No: AG002M4L MDL No:
Product Description
Catalog Number:
AG002M4L
Chemical Name:
1,3-Cyclohexadiene-1-carboxaldehyde, 4-ethoxy-2,6,6-trimethyl-
CAS Number:
23069-11-6
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
4-ethoxy-2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
InChI:
InChI=1S/C12H18O2/c1-5-14-10-6-9(2)11(8-13)12(3,4)7-10/h6,8H,5,7H2,1-4H3
InChI Key:
MBUBGLMXXIEHNU-UHFFFAOYSA-N
SMILES:
CCOC1=CC(=C(C(C1)(C)C)C=O)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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