Home Carboxys 1,5-Dimethyl-1H-pyrrole-2-carboxylic acid

1,5-Dimethyl-1H-pyrrole-2-carboxylic acid

CAS No.:
73476-30-9
Catalog Number:
AG008QXH
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
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Product Description
Catalog Number:
AG008QXH
Chemical Name:
1,5-Dimethyl-1H-pyrrole-2-carboxylic acid
CAS Number:
73476-30-9
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD01859979
IUPAC Name:
1,5-dimethylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C7H9NO2/c1-5-3-4-6(7(9)10)8(5)2/h3-4H,1-2H3,(H,9,10)
InChI Key:
NDJXNNQYGYBVNQ-UHFFFAOYSA-N
SMILES:
Cn1c(ccc1C)C(=O)O
Properties
Complexity:
147  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties