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

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

CAS No.:
1522996-06-0
Catalog Number:
AG01BC41
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG01BC41
Chemical Name:
2-ethyl-1-methyl-1H-pyrrole-3-carboxylic acid
CAS Number:
1522996-06-0
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD28714704
IUPAC Name:
2-ethyl-1-methylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C8H11NO2/c1-3-7-6(8(10)11)4-5-9(7)2/h4-5H,3H2,1-2H3,(H,10,11)
InChI Key:
OKAUCGYDZPWZOG-UHFFFAOYSA-N
SMILES:
CCc1n(C)ccc1C(=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:
1  
Properties