Home Carboxys 4-Propionyl-1H-pyrrole-2-carboxylic acid

4-Propionyl-1H-pyrrole-2-carboxylic acid

CAS No.:
111468-94-1
Catalog Number:
AG007AK0
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG007AK0
Chemical Name:
4-Propionyl-1H-pyrrole-2-carboxylic acid
CAS Number:
111468-94-1
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD06200986
IUPAC Name:
4-propanoyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c1-2-7(10)5-3-6(8(11)12)9-4-5/h3-4,9H,2H2,1H3,(H,11,12)
InChI Key:
ZCFLLRUDRAKKFL-UHFFFAOYSA-N
SMILES:
CCC(=O)c1c[nH]c(c1)C(=O)O
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties