Home Other Building Blocks 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2,2-dimethylpropanoic acid

3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2,2-dimethylpropanoic acid

CAS No.:
1547392-86-8
Catalog Number:
AG01C4BL
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
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Product Description
Catalog Number:
AG01C4BL
Chemical Name:
3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2,2-dimethylpropanoic acid
CAS Number:
1547392-86-8
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
MDL Number:
MFCD24207307
IUPAC Name:
3-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanoic acid
InChI:
InChI=1S/C9H11NO4/c1-9(2,8(13)14)5-10-6(11)3-4-7(10)12/h3-4H,5H2,1-2H3,(H,13,14)
InChI Key:
DNSYNXUKPMCWLB-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1CC(C(=O)O)(C)C
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties