Home Carboxys 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrole-3-carboxylic acid

2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrole-3-carboxylic acid

CAS No.:
855991-76-3
Catalog Number:
AG00IDPV
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
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Product Description
Catalog Number:
AG00IDPV
Chemical Name:
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrole-3-carboxylic acid
CAS Number:
855991-76-3
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD07313021
IUPAC Name:
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c1-6-4-9(11(14)15)8(3)13(6)10-5-7(2)16-12-10/h4-5H,1-3H3,(H,14,15)
InChI Key:
VZCAPDCBGHRAFS-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)n1c(C)cc(c1C)C(=O)O
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties