Home Carboxys 3,4,6-trimethyl-1H-indole-2-carboxylic acid

3,4,6-trimethyl-1H-indole-2-carboxylic acid

CAS No.:
1368950-70-2
Catalog Number:
AG01DVYD
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
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Product Description
Catalog Number:
AG01DVYD
Chemical Name:
3,4,6-trimethyl-1H-indole-2-carboxylic acid
CAS Number:
1368950-70-2
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD21985803
IUPAC Name:
3,4,6-trimethyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C12H13NO2/c1-6-4-7(2)10-8(3)11(12(14)15)13-9(10)5-6/h4-5,13H,1-3H3,(H,14,15)
InChI Key:
AQQQJQXOHCZKFB-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)[nH]c(c2C)C(=O)O
Properties
Complexity:
266  
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:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties