Home Carboxys 1-propyl-1H-indole-2-carboxylic acid

1-propyl-1H-indole-2-carboxylic acid

CAS No.:
59908-66-6
Catalog Number:
AG00ELBB
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
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Product Description
Catalog Number:
AG00ELBB
Chemical Name:
1-propyl-1H-indole-2-carboxylic acid
CAS Number:
59908-66-6
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD09037007
IUPAC Name:
1-propylindole-2-carboxylic acid
InChI:
InChI=1S/C12H13NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11(13)12(14)15/h3-6,8H,2,7H2,1H3,(H,14,15)
InChI Key:
NEVFETBXTISVKK-UHFFFAOYSA-N
SMILES:
CCCn1c(cc2c1cccc2)C(=O)O
Properties
Complexity:
242  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties