Home Carboxys 4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid

4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid

CAS No.:
1181894-93-8
Catalog Number:
AG019VJD
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
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Product Description
Catalog Number:
AG019VJD
Chemical Name:
4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid
CAS Number:
1181894-93-8
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD12197202
IUPAC Name:
4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C11H15NO3/c1-4-5-8-9(7(3)13)6(2)12-10(8)11(14)15/h12H,4-5H2,1-3H3,(H,14,15)
InChI Key:
DAQAQWGFAZEZLJ-UHFFFAOYSA-N
SMILES:
CCCc1c(C(=O)C)c([nH]c1C(=O)O)C
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties