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708-08-7 | pyridoxaloxime
CAS No: 708-08-7 Catalog No: AG00FTJQ MDL No:MFCD00219552
Product Description
Catalog Number:
AG00FTJQ
Chemical Name:
pyridoxaloxime
CAS Number:
708-08-7
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD00219552
IUPAC Name:
4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
InChI:
InChI=1S/C8H10N2O3/c1-5-8(12)7(3-10-13)6(4-11)2-9-5/h2-3,11-13H,4H2,1H3/b10-3+
InChI Key:
QXKIIRAOFHLZMD-XCVCLJGOSA-N
SMILES:
O/N=C/c1c(CO)cnc(c1O)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Pyridoxal oxime derivative potency to reactivate cholinesterases inhibited by organophosphorus compounds. | Toxicology letters 20161116 |
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