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Home > Indoles and Oxindole > 17337-22-3
17337-22-3 | 9H-Pyrido[3,4-b]indole-1-methanol
CAS No: 17337-22-3 Catalog No: AG001YUY MDL No:
Product Description
Catalog Number:
AG001YUY
Chemical Name:
9H-Pyrido[3,4-b]indole-1-methanol
CAS Number:
17337-22-3
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
9H-pyrido[3,4-b]indol-1-ylmethanol
InChI:
InChI=1S/C12H10N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-6,14-15H,7H2
InChI Key:
XKCXIUDPGSNQIQ-UHFFFAOYSA-N
SMILES:
OCc1nccc2c1[nH]c1c2cccc1
Properties
Complexity:
234
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:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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