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Home > Indoles and Oxindole > 137743-78-3
137743-78-3 | 1H-Pyrido[3,4-b]indole-5,6-dione, 2,3,4,9-tetrahydro-1-methyl-
CAS No: 137743-78-3 Catalog No: AG007LF1 MDL No:
Product Description
Catalog Number:
AG007LF1
Chemical Name:
1H-Pyrido[3,4-b]indole-5,6-dione, 2,3,4,9-tetrahydro-1-methyl-
CAS Number:
137743-78-3
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-5,6-dione
InChI:
InChI=1S/C12H12N2O2/c1-6-11-7(4-5-13-6)10-8(14-11)2-3-9(15)12(10)16/h2-3,6,13-14H,4-5H2,1H3
InChI Key:
QLAJIPPQYOXQCQ-UHFFFAOYSA-N
SMILES:
O=C1C=Cc2c(C1=O)c1CCNC(c1[nH]2)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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