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Home Carboxys Ethyl 5-hydroxy-2-methyl-1h-indole-3-carboxylate

Ethyl 5-hydroxy-2-methyl-1h-indole-3-carboxylate

CAS No.:
7598-91-6
Catalog Number:
AG003QCP
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$249
- +
25g
98%(HPLC)
In Stock USA
United States
$1235
- +
Product Description
Catalog Number:
AG003QCP
Chemical Name:
Ethyl 5-hydroxy-2-methyl-1h-indole-3-carboxylate
CAS Number:
7598-91-6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD00044575
IUPAC Name:
ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
InChI:
InChI=1S/C12H13NO3/c1-3-16-12(15)11-7(2)13-10-5-4-8(14)6-9(10)11/h4-6,13-14H,3H2,1-2H3
InChI Key:
BSNHKSUAAMJXBB-UHFFFAOYSA-N
SMILES:
Cc1c(C(=O)OCC)c2c([nH]1)ccc(c2)O
EC Number:
231-507-7
NSC Number:
405600
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
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
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties