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1052680-53-1 | N-Boc-3-methylmorpholine-3-carboxylic Acid
CAS No: 1052680-53-1 Catalog No: AG003ST8 MDL No:MFCD09756545
Product Description
Catalog Number:
AG003ST8
Chemical Name:
N-Boc-3-methylmorpholine-3-carboxylic Acid
CAS Number:
1052680-53-1
Molecular Formula:
C11H19NO5
Molecular Weight:
245.2723
MDL Number:
MFCD09756545
IUPAC Name:
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
InChI:
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-6-16-7-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)
InChI Key:
OWKAFGALKWOGOO-UHFFFAOYSA-N
SMILES:
O=C(N1CCOCC1(C)C(=O)O)OC(C)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.275g/mol
Monoisotopic Mass:
245.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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