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Home > Indoles and Oxindole > 137937-06-5
137937-06-5 | 9H-Pyrido[3,4-b]indole, 4-methoxy-, 2-oxide
CAS No: 137937-06-5 Catalog No: AG0017P7 MDL No:
Product Description
Catalog Number:
AG0017P7
Chemical Name:
9H-Pyrido[3,4-b]indole, 4-methoxy-, 2-oxide
CAS Number:
137937-06-5
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
2-hydroxy-4-methoxypyrido[3,4-b]indole
InChI:
InChI=1S/C12H10N2O2/c1-16-11-7-14(15)6-10-12(11)8-4-2-3-5-9(8)13-10/h2-7,15H,1H3
InChI Key:
ZRWFZLYELYCJGH-UHFFFAOYSA-N
SMILES:
COc1c[n+]([O-])cc2c1c1ccccc1[nH]2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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