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Home > Indoles and Oxindole > 17994-13-7
17994-13-7 | 9H-Pyrido[3,4-b]indolium, 7-hydroxy-1,2-dimethyl-
CAS No: 17994-13-7 Catalog No: AG0021H7 MDL No:
Product Description
Catalog Number:
AG0021H7
Chemical Name:
9H-Pyrido[3,4-b]indolium, 7-hydroxy-1,2-dimethyl-
CAS Number:
17994-13-7
Molecular Formula:
C13H13N2O+
Molecular Weight:
213.2551
IUPAC Name:
1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium-7-ol
InChI:
InChI=1S/C13H12N2O/c1-8-13-11(5-6-15(8)2)10-4-3-9(16)7-12(10)14-13/h3-7H,1-2H3,(H,14,16)/p+1
InChI Key:
IKSOWGZATCLVAU-UHFFFAOYSA-O
SMILES:
Oc1ccc2c(c1)[nH]c1c2cc[n+](c1C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.103g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.26g/mol
Monoisotopic Mass:
213.103g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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