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Home > Indoles and Oxindole > 834910-18-8
834910-18-8 | 1,2,3,5-Tetrazino[5,4-a]indol-4(3H)-one, 3-methyl-10-phenyl-
CAS No: 834910-18-8 Catalog No: AG004VGA MDL No:
Product Description
Catalog Number:
AG004VGA
Chemical Name:
1,2,3,5-Tetrazino[5,4-a]indol-4(3H)-one, 3-methyl-10-phenyl-
CAS Number:
834910-18-8
Molecular Formula:
C16H12N4O
Molecular Weight:
276.2927
IUPAC Name:
3-methyl-10-phenyl-[1,2,3,5]tetrazino[5,4-a]indol-4-one
InChI:
InChI=1S/C16H12N4O/c1-19-16(21)20-13-10-6-5-9-12(13)14(15(20)17-18-19)11-7-3-2-4-8-11/h2-10H,1H3
InChI Key:
HEPGDIXBCHNNII-UHFFFAOYSA-N
SMILES:
Cn1nnc2n(c1=O)c1ccccc1c2c1ccccc1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.299g/mol
Monoisotopic Mass:
276.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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