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1235181-00-6 | 3-Morpholinecarboxylic acid, 5-oxo-4-(phenylmethyl)-, methyl ester, (3S)-
CAS No: 1235181-00-6 Catalog No: AG000KPS MDL No:MFCD11501467
Product Description
Catalog Number:
AG000KPS
Chemical Name:
3-Morpholinecarboxylic acid, 5-oxo-4-(phenylmethyl)-, methyl ester, (3S)-
CAS Number:
1235181-00-6
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD11501467
IUPAC Name:
methyl (3S)-4-benzyl-5-oxomorpholine-3-carboxylate
InChI:
InChI=1S/C13H15NO4/c1-17-13(16)11-8-18-9-12(15)14(11)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1
InChI Key:
UTUDPLWXJNKTNP-NSHDSACASA-N
SMILES:
COC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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