Home Carboxys 1-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid

1-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid

CAS No.:
1547444-68-7
Catalog Number:
AG01BTND
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG01BTND
Chemical Name:
1-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid
CAS Number:
1547444-68-7
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD26737932
IUPAC Name:
1-ethyl-2-methylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C8H11NO2/c1-3-9-5-4-7(6(9)2)8(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChI Key:
HNRQYYDXOAZYMG-UHFFFAOYSA-N
SMILES:
CCn1ccc(c1C)C(=O)O
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties