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

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

CAS No.:
1361397-78-5
Catalog Number:
AG01B4TL
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
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Product Description
Catalog Number:
AG01B4TL
Chemical Name:
2,3,3-trimethyl-3H-indole-4-carboxylic acid
CAS Number:
1361397-78-5
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
2,3,3-trimethylindole-4-carboxylic acid
InChI:
InChI=1S/C12H13NO2/c1-7-12(2,3)10-8(11(14)15)5-4-6-9(10)13-7/h4-6H,1-3H3,(H,14,15)
InChI Key:
DLFRWILZUBBIOA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1C(C)(C)C(=N2)C
Properties
Complexity:
320  
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:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties