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188657-85-4 | Carbamic acid, [(1-oxido-3-pyridinyl)methyl]-, 1-methylethyl ester (9CI)
CAS No: 188657-85-4 Catalog No: AG002H3Z MDL No:
Product Description
Catalog Number:
AG002H3Z
Chemical Name:
Carbamic acid, [(1-oxido-3-pyridinyl)methyl]-, 1-methylethyl ester (9CI)
CAS Number:
188657-85-4
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
IUPAC Name:
propan-2-yl N-[(1-oxidopyridin-1-ium-3-yl)methyl]carbamate
InChI:
InChI=1S/C10H14N2O3/c1-8(2)15-10(13)11-6-9-4-3-5-12(14)7-9/h3-5,7-8H,6H2,1-2H3,(H,11,13)
InChI Key:
GOMQNNGZTKFNRQ-UHFFFAOYSA-N
SMILES:
CC(OC(=O)NCc1ccc[n+](c1)[O-])C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.233g/mol
Monoisotopic Mass:
210.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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