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100997-48-6 | 1H-Indole-2,3-dicarboxylic acid, 7-formyl-4,6-dimethoxy-, 2,3-dimethyl ester
CAS No: 100997-48-6 Catalog No: AG0003EQ MDL No:
Product Description
Catalog Number:
AG0003EQ
Chemical Name:
1H-Indole-2,3-dicarboxylic acid, 7-formyl-4,6-dimethoxy-, 2,3-dimethyl ester
CAS Number:
100997-48-6
Molecular Formula:
C15H15NO7
Molecular Weight:
321.2821
IUPAC Name:
dimethyl 7-formyl-4,6-dimethoxy-1H-indole-2,3-dicarboxylate
InChI:
InChI=1S/C15H15NO7/c1-20-8-5-9(21-2)10-11(14(18)22-3)13(15(19)23-4)16-12(10)7(8)6-17/h5-6,16H,1-4H3
InChI Key:
FYZGHBWFFVAOHU-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]c2c(c1C(=O)OC)c(OC)cc(c2C=O)OC
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.085g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.285g/mol
Monoisotopic Mass:
321.085g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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