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70401-29-5 | 2-Methyl-9-acridinecarboxaldehyde
CAS No: 70401-29-5 Catalog No: AG003HOB MDL No:
Product Description
Catalog Number:
AG003HOB
Chemical Name:
2-Methyl-9-acridinecarboxaldehyde
CAS Number:
70401-29-5
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
2-methylacridine-9-carbaldehyde
InChI:
InChI=1S/C15H11NO/c1-10-6-7-15-12(8-10)13(9-17)11-4-2-3-5-14(11)16-15/h2-9H,1H3
InChI Key:
PIBZGMVFXCKDER-UHFFFAOYSA-N
SMILES:
O=Cc1c2cc(C)ccc2nc2c1cccc2
EC Number:
274-594-7
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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