Home Carboxys 5-tert-butyl-2-methyl-1�-pyrrole-3-carboxylic acid

5-tert-butyl-2-methyl-1�-pyrrole-3-carboxylic acid

CAS No.:
1269005-80-2
Catalog Number:
AG01BOGE
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
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Product Description
Catalog Number:
AG01BOGE
Chemical Name:
5-tert-butyl-2-methyl-1�-pyrrole-3-carboxylic acid
CAS Number:
1269005-80-2
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD20660735
IUPAC Name:
5-tert-butyl-2-methyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C10H15NO2/c1-6-7(9(12)13)5-8(11-6)10(2,3)4/h5,11H,1-4H3,(H,12,13)
InChI Key:
BZBWSWSZEONYDO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc([nH]c1C)C(C)(C)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties