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82596-93-8 | Ethanone, 1-(9H-pyrido[3,4-b]indol-3-yl)-
CAS No: 82596-93-8 Catalog No: AG0052WT MDL No:
Product Description
Catalog Number:
AG0052WT
Chemical Name:
Ethanone, 1-(9H-pyrido[3,4-b]indol-3-yl)-
CAS Number:
82596-93-8
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
IUPAC Name:
1-(9H-pyrido[3,4-b]indol-3-yl)ethanone
InChI:
InChI=1S/C13H10N2O/c1-8(16)12-6-10-9-4-2-3-5-11(9)15-13(10)7-14-12/h2-7,15H,1H3
InChI Key:
MPLXFBXMWYMAFN-UHFFFAOYSA-N
SMILES:
CC(=O)c1ncc2c(c1)c1ccccc1[nH]2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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