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14748-69-7 | 1H-Naphtho[1,8-de]-1,2,3-triazine, 1-methyl-
CAS No: 14748-69-7 Catalog No: AG001EXD MDL No:
Product Description
Catalog Number:
AG001EXD
Chemical Name:
1H-Naphtho[1,8-de]-1,2,3-triazine, 1-methyl-
CAS Number:
14748-69-7
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
IUPAC Name:
4-methyl-2,3,4-triazatricyclo[7.3.1.05,13]trideca-1(12),2,5,7,9(13),10-hexaene
InChI:
InChI=1S/C11H9N3/c1-14-10-7-3-5-8-4-2-6-9(11(8)10)12-13-14/h2-7H,1H3
InChI Key:
XEGMPJRPUXURTO-UHFFFAOYSA-N
SMILES:
Cn1nnc2c3c1cccc3ccc2
NSC Number:
149068
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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