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Home > Indoles and Oxindole > 138565-78-3
138565-78-3 | 3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-methyl-6-nitro-
CAS No: 138565-78-3 Catalog No: AG007LWJ MDL No:
Product Description
Catalog Number:
AG007LWJ
Chemical Name:
3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-methyl-6-nitro-
CAS Number:
138565-78-3
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
1-methyl-6-nitro-4,9-dihydro-3H-pyrido[3,4-b]indole
InChI:
InChI=1S/C12H11N3O2/c1-7-12-9(4-5-13-7)10-6-8(15(16)17)2-3-11(10)14-12/h2-3,6,14H,4-5H2,1H3
InChI Key:
MVOPEQANCBUNRG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c1CCN=C(c1[nH]2)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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