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74459-27-1 | 1H-Indole-2,3-dicarboxaldehyde, 1-methyl-
CAS No: 74459-27-1 Catalog No: AG005BFR MDL No:
Product Description
Catalog Number:
AG005BFR
Chemical Name:
1H-Indole-2,3-dicarboxaldehyde, 1-methyl-
CAS Number:
74459-27-1
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
IUPAC Name:
1-methylindole-2,3-dicarbaldehyde
InChI:
InChI=1S/C11H9NO2/c1-12-10-5-3-2-4-8(10)9(6-13)11(12)7-14/h2-7H,1H3
InChI Key:
CEXLLMKJWFAILS-UHFFFAOYSA-N
SMILES:
O=Cc1c(C=O)c2c(n1C)cccc2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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