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1373253-22-5 | 2-Morpholinecarboxylic acid, methyl ester, 2,2,2-trifluoroacetate (1:1)
CAS No: 1373253-22-5 Catalog No: AG001352 MDL No:MFCD21364782
Product Description
Catalog Number:
AG001352
Chemical Name:
2-Morpholinecarboxylic acid, methyl ester, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1373253-22-5
Molecular Formula:
C8H12F3NO5
Molecular Weight:
259.1798
MDL Number:
MFCD21364782
IUPAC Name:
methyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C6H11NO3.C2HF3O2/c1-9-6(8)5-4-7-2-3-10-5;3-2(4,5)1(6)7/h5,7H,2-4H2,1H3;(H,6,7)
InChI Key:
MEZYADQKFXKWSH-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.COC(=O)C1OCCNC1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.181g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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