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81779-27-3 | 4-Hydroxy-1H-indole-3-carbaldehyde
CAS No: 81779-27-3 Catalog No: AG008LI2 MDL No:MFCD05864721
Product Description
Catalog Number:
AG008LI2
Chemical Name:
4-Hydroxy-1H-indole-3-carbaldehyde
CAS Number:
81779-27-3
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD05864721
IUPAC Name:
4-hydroxy-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H7NO2/c11-5-6-4-10-7-2-1-3-8(12)9(6)7/h1-5,10,12H
InChI Key:
QLBZIZLLMNWTHG-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(O)ccc2
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:
2
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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