Home Other Building Blocks Benzoic acid, 3-(3-oxo-4-morpholinyl)-

Benzoic acid, 3-(3-oxo-4-morpholinyl)-

CAS No.:
1194374-14-5
Catalog Number:
AG000IRJ
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
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Product Description
Catalog Number:
AG000IRJ
Chemical Name:
Benzoic acid, 3-(3-oxo-4-morpholinyl)-
CAS Number:
1194374-14-5
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD13176570
IUPAC Name:
3-(3-oxomorpholin-4-yl)benzoic acid
InChI:
InChI=1S/C11H11NO4/c13-10-7-16-5-4-12(10)9-3-1-2-8(6-9)11(14)15/h1-3,6H,4-5,7H2,(H,14,15)
InChI Key:
AYPABEQYFZUAMF-UHFFFAOYSA-N
SMILES:
O=C1COCCN1c1cccc(c1)C(=O)O
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties