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Home > Imidazoles > 29636-87-1
29636-87-1 | 1H-Imidazole-5-methanol, 4-methyl-
CAS No: 29636-87-1 Catalog No: AG002YYP MDL No:MFCD00072702
Product Description
Catalog Number:
AG002YYP
Chemical Name:
1H-Imidazole-5-methanol, 4-methyl-
CAS Number:
29636-87-1
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD00072702
IUPAC Name:
(5-methyl-1H-imidazol-4-yl)methanol
InChI:
InChI=1S/C5H8N2O/c1-4-5(2-8)7-3-6-4/h3,8H,2H2,1H3,(H,6,7)
InChI Key:
AXJZCJSXNZZMDU-UHFFFAOYSA-N
SMILES:
Cc1nc[nH]c1CO
EC Number:
249-740-8
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Unexpected products and reaction mechanisms of the aqueous chlorination of cimetidine. | Environmental science & technology 20070901 |
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