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41793-01-5 | 1,3-Cyclohexadiene-1-carboxaldehyde, 4,6,6-trimethyl-
CAS No: 41793-01-5 Catalog No: AG0075CV MDL No:
Product Description
Catalog Number:
AG0075CV
Chemical Name:
1,3-Cyclohexadiene-1-carboxaldehyde, 4,6,6-trimethyl-
CAS Number:
41793-01-5
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
InChI:
InChI=1S/C10H14O/c1-8-4-5-9(7-11)10(2,3)6-8/h4-5,7H,6H2,1-3H3
InChI Key:
AGOZFZVIFYEFGK-UHFFFAOYSA-N
SMILES:
O=CC1=CC=C(CC1(C)C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and cellular effects of cycloterpenals: cyclohexadienal-based activators of neurite outgrowth. | Bioorganic & medicinal chemistry 20080815 |
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