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192817-79-1 | Benzoic acid, 2-(4-morpholinyl)-, ethyl ester
CAS No: 192817-79-1 Catalog No: AG002GCY MDL No:MFCD06204497
Product Description
Catalog Number:
AG002GCY
Chemical Name:
Benzoic acid, 2-(4-morpholinyl)-, ethyl ester
CAS Number:
192817-79-1
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD06204497
IUPAC Name:
ethyl 2-morpholin-4-ylbenzoate
InChI:
InChI=1S/C13H17NO3/c1-2-17-13(15)11-5-3-4-6-12(11)14-7-9-16-10-8-14/h3-6H,2,7-10H2,1H3
InChI Key:
UIVDSGDHUXOYDW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1N1CCOCC1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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