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22946-01-6 | 9H-Pyrido[3,4-b]indole-9-ethanol
CAS No: 22946-01-6 Catalog No: AG002LMY MDL No:
Product Description
Catalog Number:
AG002LMY
Chemical Name:
9H-Pyrido[3,4-b]indole-9-ethanol
CAS Number:
22946-01-6
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
2-pyrido[3,4-b]indol-9-ylethanol
InChI:
InChI=1S/C13H12N2O/c16-8-7-15-12-4-2-1-3-10(12)11-5-6-14-9-13(11)15/h1-6,9,16H,7-8H2
InChI Key:
MPLKMQHZGKUTGK-UHFFFAOYSA-N
SMILES:
OCCn1c2ccccc2c2c1cncc2
Properties
Complexity:
246
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:
1
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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