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67282-51-3 | 1H-Indole-3-carboxaldehyde, 1-hydroxy-
CAS No: 67282-51-3 Catalog No: AG006IXI MDL No:
Product Description
Catalog Number:
AG006IXI
Chemical Name:
1H-Indole-3-carboxaldehyde, 1-hydroxy-
CAS Number:
67282-51-3
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
IUPAC Name:
1-hydroxyindole-3-carbaldehyde
InChI:
InChI=1S/C9H7NO2/c11-6-7-5-10(12)9-4-2-1-3-8(7)9/h1-6,12H
InChI Key:
OGICCHVXAZFEQZ-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccc2)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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