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92654-79-0 | 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENECARBALDEHYDE
CAS No: 92654-79-0 Catalog No: AG006FQ9 MDL No:MFCD08700509
Product Description
Catalog Number:
AG006FQ9
Chemical Name:
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENECARBALDEHYDE
CAS Number:
92654-79-0
Molecular Formula:
C15H20O
Molecular Weight:
216.3187
MDL Number:
MFCD08700509
IUPAC Name:
5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde
InChI:
InChI=1S/C15H20O/c1-14(2)7-8-15(3,4)13-9-11(10-16)5-6-12(13)14/h5-6,9-10H,7-8H2,1-4H3
InChI Key:
RRAGXXOTEICTAF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)C(C)(C)CCC2(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.151g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.324g/mol
Monoisotopic Mass:
216.151g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Discovery of tetrahydrotetramethylnaphthalene analogs as adult T-cell leukemia cell-selective proliferation inhibitors in a small chemical library constructed based on multi-template hypothesis. | Bioorganic & medicinal chemistry 20090701 |
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