Home Carboxys 4-methyl-5-oxo-3-phenylmorpholine-2-carboxylic acid

4-methyl-5-oxo-3-phenylmorpholine-2-carboxylic acid

CAS No.:
1259057-13-0
Catalog Number:
AG01BEFB
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
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Product Description
Catalog Number:
AG01BEFB
Chemical Name:
4-methyl-5-oxo-3-phenylmorpholine-2-carboxylic acid
CAS Number:
1259057-13-0
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD18089160
IUPAC Name:
4-methyl-5-oxo-3-phenylmorpholine-2-carboxylic acid
InChI:
InChI=1S/C12H13NO4/c1-13-9(14)7-17-11(12(15)16)10(13)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3,(H,15,16)
InChI Key:
WHKTVMFCLHPCHO-UHFFFAOYSA-N
SMILES:
OC(=O)C1OCC(=O)N(C1c1ccccc1)C
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties