Home Carboxys 5-ethyl-1H-pyrrole-2-carboxylic acid

5-ethyl-1H-pyrrole-2-carboxylic acid

CAS No.:
630128-54-0
Catalog Number:
AG00J2IE
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
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Product Description
Catalog Number:
AG00J2IE
Chemical Name:
5-ethyl-1H-pyrrole-2-carboxylic acid
CAS Number:
630128-54-0
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD22071090
IUPAC Name:
5-ethyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C7H9NO2/c1-2-5-3-4-6(8-5)7(9)10/h3-4,8H,2H2,1H3,(H,9,10)
InChI Key:
ZUSDXYWZVXGILO-UHFFFAOYSA-N
SMILES:
CCc1ccc([nH]1)C(=O)O
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties