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1439373-47-3 | 2,4-Morpholinedicarboxylic acid, 4-(phenylmethyl) ester, (2S)-
CAS No: 1439373-47-3 Catalog No: AG001IMS MDL No:
Product Description
Catalog Number:
AG001IMS
Chemical Name:
2,4-Morpholinedicarboxylic acid, 4-(phenylmethyl) ester, (2S)-
CAS Number:
1439373-47-3
Molecular Formula:
C13H14NO5-
Molecular Weight:
264.2540
IUPAC Name:
4-phenylmethoxycarbonylmorpholine-2-carboxylic acid
InChI:
InChI=1S/C13H15NO5/c15-12(16)11-8-14(6-7-18-11)13(17)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChI Key:
AVQCLRKABAZVMZ-UHFFFAOYSA-N
SMILES:
[O-]C(=O)[C@H]1OCCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.265g/mol
Monoisotopic Mass:
265.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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