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1257856-31-7 | 4-Morpholinecarboxylic acid, 2-cyano-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1257856-31-7 Catalog No: AG000OQX MDL No:MFCD16659643
Product Description
Catalog Number:
AG000OQX
Chemical Name:
4-Morpholinecarboxylic acid, 2-cyano-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1257856-31-7
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
MDL Number:
MFCD16659643
IUPAC Name:
tert-butyl (2S)-2-cyanomorpholine-4-carboxylate
InChI:
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-5,7H2,1-3H3/t8-/m1/s1
InChI Key:
GZZBGWUQUIKDNN-MRVPVSSYSA-N
SMILES:
N#C[C@H]1OCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
212.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.249g/mol
Monoisotopic Mass:
212.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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