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74690-70-3 | 9H-Pyrido[3,4-b]indole-1-carboxaldehyde, 4-hydroxy-
CAS No: 74690-70-3 Catalog No: AG005A66 MDL No:
Product Description
Catalog Number:
AG005A66
Chemical Name:
9H-Pyrido[3,4-b]indole-1-carboxaldehyde, 4-hydroxy-
CAS Number:
74690-70-3
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
IUPAC Name:
4-hydroxy-9H-pyrido[3,4-b]indole-1-carbaldehyde
InChI:
InChI=1S/C12H8N2O2/c15-6-9-12-11(10(16)5-13-9)7-3-1-2-4-8(7)14-12/h1-6,14,16H
InChI Key:
KEMBGOYCFKOHHY-UHFFFAOYSA-N
SMILES:
O=Cc1ncc(c2c1[nH]c1c2cccc1)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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