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38993-84-9 | (1-Methyl-1H-imidazol-5-yl)methanol
CAS No: 38993-84-9 Catalog No: AG00772C MDL No:MFCD02179522
Product Description
Catalog Number:
AG00772C
Chemical Name:
(1-Methyl-1H-imidazol-5-yl)methanol
CAS Number:
38993-84-9
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD02179522
IUPAC Name:
(3-methylimidazol-4-yl)methanol
InChI:
InChI=1S/C5H8N2O/c1-7-4-6-2-5(7)3-8/h2,4,8H,3H2,1H3
InChI Key:
PXGQMYCEAWZJJF-UHFFFAOYSA-N
SMILES:
Cn1cncc1CO
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:
1
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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