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1263078-13-2 | 4-Morpholinecarboxylic acid, 5-(hydroxymethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (5R)-
CAS No: 1263078-13-2 Catalog No: AG000SIT MDL No:
Product Description
Catalog Number:
AG000SIT
Chemical Name:
4-Morpholinecarboxylic acid, 5-(hydroxymethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (5R)-
CAS Number:
1263078-13-2
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
IUPAC Name:
tert-butyl (5R)-5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate
InChI:
InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-8-12(4,5)16-7-9(13)6-14/h9,14H,6-8H2,1-5H3/t9-/m1/s1
InChI Key:
YOYWIKXSQOIMTP-SECBINFHSA-N
SMILES:
OC[C@@H]1COC(CN1C(=O)OC(C)(C)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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