Home Other Building Blocks 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoic acid

4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoic acid

CAS No.:
1333753-40-4
Catalog Number:
AG01AKKX
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
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Product Description
Catalog Number:
AG01AKKX
Chemical Name:
4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoic acid
CAS Number:
1333753-40-4
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD20233488
IUPAC Name:
4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoic acid
InChI:
InChI=1S/C12H11NO4/c14-10-6-9(11(15)13-10)5-7-1-3-8(4-2-7)12(16)17/h1-4,9H,5-6H2,(H,16,17)(H,13,14,15)
InChI Key:
KPNKKMDVTULRAR-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(C1)Cc1ccc(cc1)C(=O)O
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties