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16381-42-3 | 1H-Indole-2-carboxylic acid, 5-methoxy-3-methyl-, ethyl ester
CAS No: 16381-42-3 Catalog No: AG001UEX MDL No:
Product Description
Catalog Number:
AG001UEX
Chemical Name:
1H-Indole-2-carboxylic acid, 5-methoxy-3-methyl-, ethyl ester
CAS Number:
16381-42-3
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
ethyl 5-methoxy-3-methyl-1H-indole-2-carboxylate
InChI:
InChI=1S/C13H15NO3/c1-4-17-13(15)12-8(2)10-7-9(16-3)5-6-11(10)14-12/h5-7,14H,4H2,1-3H3
InChI Key:
MZBGNUFRAXDPAT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1C)cc(cc2)OC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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