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1268474-70-9 | 3-Morpholinecarboxylic acid, 2-methyl-5-oxo-4-(phenylmethyl)-, ethyl ester, (2S,3R)-
CAS No: 1268474-70-9 Catalog No: AG000TBT MDL No:
Product Description
Catalog Number:
AG000TBT
Chemical Name:
3-Morpholinecarboxylic acid, 2-methyl-5-oxo-4-(phenylmethyl)-, ethyl ester, (2S,3R)-
CAS Number:
1268474-70-9
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
IUPAC Name:
ethyl (2S,3R)-4-benzyl-2-methyl-5-oxomorpholine-3-carboxylate
InChI:
InChI=1S/C15H19NO4/c1-3-19-15(18)14-11(2)20-10-13(17)16(14)9-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/t11-,14+/m0/s1
InChI Key:
LHEIROLZQYEGDS-SMDDNHRTSA-N
SMILES:
CCOC(=O)[C@H]1[C@H](C)OCC(=O)N1Cc1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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