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Home > Pyridines > 124775-33-3
124775-33-3 | Carbamic acid, dimethyl-, 1-oxido-3-pyridinyl ester (9CI)
CAS No: 124775-33-3 Catalog No: AG000MQD MDL No:
Product Description
Catalog Number:
AG000MQD
Chemical Name:
Carbamic acid, dimethyl-, 1-oxido-3-pyridinyl ester (9CI)
CAS Number:
124775-33-3
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
(1-oxidopyridin-1-ium-3-yl) N,N-dimethylcarbamate
InChI:
InChI=1S/C8H10N2O3/c1-9(2)8(11)13-7-4-3-5-10(12)6-7/h3-6H,1-2H3
InChI Key:
AWTBSCZHBNQKEB-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc(c1)OC(=O)N(C)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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