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1416444-68-2 | 4-Morpholinecarboxylic acid, 6-(hydroxymethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (6R)-
CAS No: 1416444-68-2 Catalog No: AG001GSX MDL No:MFCD22690354
Product Description
Catalog Number:
AG001GSX
Chemical Name:
4-Morpholinecarboxylic acid, 6-(hydroxymethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (6R)-
CAS Number:
1416444-68-2
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
MDL Number:
MFCD22690354
IUPAC Name:
tert-butyl (6R)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate
InChI:
InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-6-9(7-14)16-12(4,5)8-13/h9,14H,6-8H2,1-5H3/t9-/m1/s1
InChI Key:
KKFSVQAEKAPAJT-SECBINFHSA-N
SMILES:
OC[C@H]1CN(CC(O1)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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