Home Carboxys 5-ethyl-3-methyl-1H-indole-2-carboxylic acid

5-ethyl-3-methyl-1H-indole-2-carboxylic acid

CAS No.:
1368639-30-8
Catalog Number:
AG01DYPD
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DYPD
Chemical Name:
5-ethyl-3-methyl-1H-indole-2-carboxylic acid
CAS Number:
1368639-30-8
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD21985801
IUPAC Name:
5-ethyl-3-methyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C12H13NO2/c1-3-8-4-5-10-9(6-8)7(2)11(13-10)12(14)15/h4-6,13H,3H2,1-2H3,(H,14,15)
InChI Key:
BXAQLLMOSHMXCP-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)c(C)c([nH]2)C(=O)O
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties