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Home > Indoles and Oxindole > 135299-06-8
135299-06-8 | 9H-Pyrido[3,4-b]indol-5-ol, 1-methyl-
CAS No: 135299-06-8 Catalog No: AG007LGI MDL No:
Product Description
Catalog Number:
AG007LGI
Chemical Name:
9H-Pyrido[3,4-b]indol-5-ol, 1-methyl-
CAS Number:
135299-06-8
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
1-methyl-2,9-dihydropyrido[3,4-b]indol-5-one
InChI:
InChI=1S/C12H10N2O/c1-7-12-8(5-6-13-7)11-9(14-12)3-2-4-10(11)15/h2-6,13-14H,1H3
InChI Key:
OACLBVQHEXYYRD-UHFFFAOYSA-N
SMILES:
Cc1nccc2c1[nH]c1c2c(O)ccc1
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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