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Home > Indoles and Oxindole > 111836-50-1
111836-50-1 | Pyrido[1,2-a]indole-1,4-dione, 2,3-dimethyl-
CAS No: 111836-50-1 Catalog No: AG0081Q2 MDL No:
Product Description
Catalog Number:
AG0081Q2
Chemical Name:
Pyrido[1,2-a]indole-1,4-dione, 2,3-dimethyl-
CAS Number:
111836-50-1
Molecular Formula:
C14H11NO2
Molecular Weight:
225.2426
IUPAC Name:
2,3-dimethylpyrido[1,2-a]indole-1,4-dione
InChI:
InChI=1S/C14H11NO2/c1-8-9(2)14(17)12-11(13(8)16)7-10-5-3-4-6-15(10)12/h3-7H,1-2H3
InChI Key:
SSXDJMSSVBOSAF-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C)C(=O)c2c1cc1n2cccc1)C
NSC Number:
625727
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.247g/mol
Monoisotopic Mass:
225.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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