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Home > Imidazoles > 96831-65-1
96831-65-1 | (1-methylimidazol-4-yl)methanol;hydrochloride
CAS No: 96831-65-1 Catalog No: AG00IJV5 MDL No:MFCD12913737
Product Description
Catalog Number:
AG00IJV5
Chemical Name:
(1-methylimidazol-4-yl)methanol;hydrochloride
CAS Number:
96831-65-1
Molecular Formula:
C5H9ClN2O
Molecular Weight:
148.5908
MDL Number:
MFCD12913737
IUPAC Name:
(1-methylimidazol-4-yl)methanol;hydrochloride
InChI:
InChI=1S/C5H8N2O.ClH/c1-7-2-5(3-8)6-4-7;/h2,4,8H,3H2,1H3;1H
InChI Key:
KOKSBDYRFSWONV-UHFFFAOYSA-N
SMILES:
Cn1cc(nc1)CO.Cl
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.04g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.59g/mol
Monoisotopic Mass:
148.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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