Home Carboxys Dimethyl 1H-indole-2,3-dicarboxylate

Dimethyl 1H-indole-2,3-dicarboxylate

CAS No.:
54781-93-0
Catalog Number:
AG003PKT
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
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Product Description
Catalog Number:
AG003PKT
Chemical Name:
Dimethyl 1H-indole-2,3-dicarboxylate
CAS Number:
54781-93-0
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD00082731
IUPAC Name:
dimethyl 1H-indole-2,3-dicarboxylate
InChI:
InChI=1S/C12H11NO4/c1-16-11(14)9-7-5-3-4-6-8(7)13-10(9)12(15)17-2/h3-6,13H,1-2H3
InChI Key:
JNRXSMOJWKDVHC-UHFFFAOYSA-N
SMILES:
COC(=O)c1c([nH]c2c1cccc2)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:
2.1  
Properties