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Home > Pyridines > 139513-38-5
139513-38-5 | Carbamic acid, (1-oxido-4-pyridinyl)-, ethyl ester (9CI)
CAS No: 139513-38-5 Catalog No: AG001B64 MDL No:
Product Description
Catalog Number:
AG001B64
Chemical Name:
Carbamic acid, (1-oxido-4-pyridinyl)-, ethyl ester (9CI)
CAS Number:
139513-38-5
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
ethyl N-(1-hydroxypyridin-4-ylidene)carbamate
InChI:
InChI=1S/C8H10N2O3/c1-2-13-8(11)9-7-3-5-10(12)6-4-7/h3-6,12H,2H2,1H3
InChI Key:
OWXOLBOQWHRMRR-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1cc[n+](cc1)[O-]
Properties
Complexity:
265
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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