Home Carboxys 2-(Ethoxycarbonyl)-1H-indole-3-carboxylic acid

2-(Ethoxycarbonyl)-1H-indole-3-carboxylic acid

CAS No.:
441800-93-7
Catalog Number:
AG00729N
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
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Product Description
Catalog Number:
AG00729N
Chemical Name:
2-(Ethoxycarbonyl)-1H-indole-3-carboxylic acid
CAS Number:
441800-93-7
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD18803524
IUPAC Name:
2-ethoxycarbonyl-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C12H11NO4/c1-2-17-12(16)10-9(11(14)15)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3,(H,14,15)
InChI Key:
HFKAHXLZJKJMKW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1C(=O)O)cccc2
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:
2  
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties