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197172-69-3 | Benzoic acid, 3-(4-morpholinyl)-, methyl ester
CAS No: 197172-69-3 Catalog No: AG002AMN MDL No:MFCD06740100
Product Description
Catalog Number:
AG002AMN
Chemical Name:
Benzoic acid, 3-(4-morpholinyl)-, methyl ester
CAS Number:
197172-69-3
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD06740100
IUPAC Name:
methyl 3-morpholin-4-ylbenzoate
InChI:
InChI=1S/C12H15NO3/c1-15-12(14)10-3-2-4-11(9-10)13-5-7-16-8-6-13/h2-4,9H,5-8H2,1H3
InChI Key:
UZHOTUXOPYLESN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)N1CCOCC1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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