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259180-69-3 | 4-Morpholinecarboxylic acid, 2-(cyanomethyl)-, 1,1-dimethylethyl ester
CAS No: 259180-69-3 Catalog No: AG002R14 MDL No:MFCD06738682
Product Description
Catalog Number:
AG002R14
Chemical Name:
4-Morpholinecarboxylic acid, 2-(cyanomethyl)-, 1,1-dimethylethyl ester
CAS Number:
259180-69-3
Molecular Formula:
C11H18N2O3
Molecular Weight:
226.2722
MDL Number:
MFCD06738682
IUPAC Name:
tert-butyl 2-(cyanomethyl)morpholine-4-carboxylate
InChI:
InChI=1S/C11H18N2O3/c1-11(2,3)16-10(14)13-6-7-15-9(8-13)4-5-12/h9H,4,6-8H2,1-3H3
InChI Key:
WHRDWLLTRDAEFB-UHFFFAOYSA-N
SMILES:
N#CCC1OCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.276g/mol
Monoisotopic Mass:
226.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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