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

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

CAS No.:
1368126-32-2
Catalog Number:
AG01BGS7
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
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Product Description
Catalog Number:
AG01BGS7
Chemical Name:
2-ethyl-1H-pyrrole-3-carboxylic acid
CAS Number:
1368126-32-2
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD22071087
IUPAC Name:
2-ethyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C7H9NO2/c1-2-6-5(7(9)10)3-4-8-6/h3-4,8H,2H2,1H3,(H,9,10)
InChI Key:
FMHIAUOYDVJJSH-UHFFFAOYSA-N
SMILES:
CCc1[nH]ccc1C(=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:
1.1  
Literature
Title Journal
Oxidation as 'the stress of life'. Aging 20110901
Properties