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Home > Indoles and Oxindole > 33821-72-6
33821-72-6 | 9H-Pyrido[3,4-b]indole-3-methanol, 1-methyl-
CAS No: 33821-72-6 Catalog No: AG007INT MDL No:
Product Description
Catalog Number:
AG007INT
Chemical Name:
9H-Pyrido[3,4-b]indole-3-methanol, 1-methyl-
CAS Number:
33821-72-6
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methanol
InChI:
InChI=1S/C13H12N2O/c1-8-13-11(6-9(7-16)14-8)10-4-2-3-5-12(10)15-13/h2-6,15-16H,7H2,1H3
InChI Key:
DGBXMWGQBOPHDR-UHFFFAOYSA-N
SMILES:
OCc1nc(C)c2c(c1)c1ccccc1[nH]2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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