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111080-66-1 | Carbamic acid, (4-pyridinylmethyl)-, 1,1-dimethylethyl ester, N-oxide
CAS No: 111080-66-1 Catalog No: AG01DNEH MDL No:MFCD26960640
Product Description
Catalog Number:
AG01DNEH
Chemical Name:
Carbamic acid, (4-pyridinylmethyl)-, 1,1-dimethylethyl ester, N-oxide
CAS Number:
111080-66-1
MDL Number:
MFCD26960640
IUPAC Name:
tert-butyl N-[(1-oxidopyridin-1-ium-4-yl)methyl]carbamate
InChI:
InChI=1S/C11H16N2O3/c1-11(2,3)16-10(14)12-8-9-4-6-13(15)7-5-9/h4-7H,8H2,1-3H3,(H,12,14)
InChI Key:
HUDXPALPFZECBF-UHFFFAOYSA-N
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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