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884494-66-0 | 2-Ethyl 5-methyl 1H-indole-2,5-dicarboxylate
CAS No: 884494-66-0 Catalog No: AG004EME MDL No:MFCD06656020
Product Description
Catalog Number:
AG004EME
Chemical Name:
2-Ethyl 5-methyl 1H-indole-2,5-dicarboxylate
CAS Number:
884494-66-0
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD06656020
IUPAC Name:
2-O-ethyl 5-O-methyl 1H-indole-2,5-dicarboxylate
InChI:
InChI=1S/C13H13NO4/c1-3-18-13(16)11-7-9-6-8(12(15)17-2)4-5-10(9)14-11/h4-7,14H,3H2,1-2H3
InChI Key:
DFILAPAOMFUIAA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)ccc(c2)C(=O)OC
Properties
Complexity:
331
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:
5
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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