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74973-31-2 | 1H-Indole-2,7-dicarboxaldehyde, 4,6-dimethoxy-3-methyl-
CAS No: 74973-31-2 Catalog No: AG008OF6 MDL No:
Product Description
Catalog Number:
AG008OF6
Chemical Name:
1H-Indole-2,7-dicarboxaldehyde, 4,6-dimethoxy-3-methyl-
CAS Number:
74973-31-2
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
IUPAC Name:
4,6-dimethoxy-3-methyl-1H-indole-2,7-dicarbaldehyde
InChI:
InChI=1S/C13H13NO4/c1-7-9(6-16)14-13-8(5-15)10(17-2)4-11(18-3)12(7)13/h4-6,14H,1-3H3
InChI Key:
CFBKKEUWHIGGQD-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c2c1c(C)c([nH]2)C=O)C=O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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