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802027-25-4 | 2-(1-methyl-1H-imidazol-5-yl)ethan-1-ol
CAS No: 802027-25-4 Catalog No: AG01ACKU MDL No:MFCD09926304
Product Description
Catalog Number:
AG01ACKU
Chemical Name:
2-(1-methyl-1H-imidazol-5-yl)ethan-1-ol
CAS Number:
802027-25-4
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
MDL Number:
MFCD09926304
IUPAC Name:
2-(3-methylimidazol-4-yl)ethanol
InChI:
InChI=1S/C6H10N2O/c1-8-5-7-4-6(8)2-3-9/h4-5,9H,2-3H2,1H3
InChI Key:
NFMVPDIGCAXICP-UHFFFAOYSA-N
SMILES:
Cn1cncc1CCO
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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