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Home > Imidazoles > 7146-30-7
7146-30-7 | 1,2,3,4-Butanetetrol,1-(5-methyl-2-benzimidazolyl)-, D-arabino- (8CI)
CAS No: 7146-30-7 Catalog No: AG005UD7 MDL No:
Product Description
Catalog Number:
AG005UD7
Chemical Name:
1,2,3,4-Butanetetrol,1-(5-methyl-2-benzimidazolyl)-, D-arabino- (8CI)
CAS Number:
7146-30-7
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
1-(6-methyl-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
InChI:
InChI=1S/C12H16N2O4/c1-6-2-3-7-8(4-6)14-12(13-7)11(18)10(17)9(16)5-15/h2-4,9-11,15-18H,5H2,1H3,(H,13,14)
InChI Key:
QYMKMZDWSYJGFV-UHFFFAOYSA-N
SMILES:
OCC(C(C(c1nc2c([nH]1)cc(cc2)C)O)O)O
NSC Number:
18721
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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