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86012-83-1 | Dimethyl 1H-indole-4,6-dicarboxylate
CAS No: 86012-83-1 Catalog No: AG004Q28 MDL No:
Product Description
Catalog Number:
AG004Q28
Chemical Name:
Dimethyl 1H-indole-4,6-dicarboxylate
CAS Number:
86012-83-1
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
dimethyl 1H-indole-4,6-dicarboxylate
InChI:
InChI=1S/C12H11NO4/c1-16-11(14)7-5-9(12(15)17-2)8-3-4-13-10(8)6-7/h3-6,13H,1-2H3
InChI Key:
RYQGTBZONSYIGI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]ccc2c(c1)C(=O)OC
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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