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Home > Imidazoles > 45533-87-7
45533-87-7 | 4-(Hydroxymethyl)-2-methyl-1H-imidazole
CAS No: 45533-87-7 Catalog No: AG00DCOJ MDL No:MFCD06202901
Product Description
Catalog Number:
AG00DCOJ
Chemical Name:
4-(Hydroxymethyl)-2-methyl-1H-imidazole
CAS Number:
45533-87-7
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD06202901
IUPAC Name:
(2-methyl-1H-imidazol-5-yl)methanol
InChI:
InChI=1S/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2,8H,3H2,1H3,(H,6,7)
InChI Key:
MQRMTENGXFRETM-UHFFFAOYSA-N
SMILES:
Cc1nc(c[nH]1)CO
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
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