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37444-46-5 | Pyridazin-3-ylmethanol
CAS No: 37444-46-5 Catalog No: AG0037B7 MDL No:MFCD04972629
Product Description
Catalog Number:
AG0037B7
Chemical Name:
Pyridazin-3-ylmethanol
CAS Number:
37444-46-5
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD04972629
IUPAC Name:
pyridazin-3-ylmethanol
InChI:
InChI=1S/C5H6N2O/c8-4-5-2-1-3-6-7-5/h1-3,8H,4H2
InChI Key:
STIKETVNLGXQCS-UHFFFAOYSA-N
SMILES:
OCc1cccnn1
Properties
Complexity:
67.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
Literature
| Title | Journal |
|---|---|
| GC/MS methods to quantify the 2-deoxypentos-4-ulose and 3'-phosphoglycolate pathways of 4' oxidation of 2-deoxyribose in DNA: application to DNA damage produced by gamma radiation and bleomycin. | Chemical research in toxicology 20071101 |
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