Home Other Building Blocks 4-(5-oxopyrrolidin-2-yl)benzoic acid

4-(5-oxopyrrolidin-2-yl)benzoic acid

CAS No.:
1314727-27-9
Catalog Number:
AG01BU56
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
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Product Description
Catalog Number:
AG01BU56
Chemical Name:
4-(5-oxopyrrolidin-2-yl)benzoic acid
CAS Number:
1314727-27-9
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD19700519
IUPAC Name:
4-(5-oxopyrrolidin-2-yl)benzoic acid
InChI:
InChI=1S/C11H11NO3/c13-10-6-5-9(12-10)7-1-3-8(4-2-7)11(14)15/h1-4,9H,5-6H2,(H,12,13)(H,14,15)
InChI Key:
LAFPNIUVRIVWTD-UHFFFAOYSA-N
SMILES:
O=C1CCC(N1)c1ccc(cc1)C(=O)O
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties