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Home > Imidazoles > 2627-70-5
2627-70-5 | 1,2,3-Propanetriol, 1-(1H-imidazol-5-yl)-
CAS No: 2627-70-5 Catalog No: AG002SJF MDL No:
Product Description
Catalog Number:
AG002SJF
Chemical Name:
1,2,3-Propanetriol, 1-(1H-imidazol-5-yl)-
CAS Number:
2627-70-5
Molecular Formula:
C6H10N2O3
Molecular Weight:
158.1552
IUPAC Name:
1-(1H-imidazol-5-yl)propane-1,2,3-triol
InChI:
InChI=1S/C6H10N2O3/c9-2-5(10)6(11)4-1-7-3-8-4/h1,3,5-6,9-11H,2H2,(H,7,8)
InChI Key:
ABDKJICLXDSVKH-UHFFFAOYSA-N
SMILES:
OC(c1cnc[nH]1)C(CO)O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
158.157g/mol
Monoisotopic Mass:
158.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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