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91100-24-2 | 1H-Imidazole-4,5-diol, 4,5-dihydro-4-methyl-2,5-dipropyl-
CAS No: 91100-24-2 Catalog No: AG006R1D MDL No:
Product Description
Catalog Number:
AG006R1D
Chemical Name:
1H-Imidazole-4,5-diol, 4,5-dihydro-4-methyl-2,5-dipropyl-
CAS Number:
91100-24-2
Molecular Formula:
C10H20N2O2
Molecular Weight:
200.2780
IUPAC Name:
5-methyl-2,4-dipropyl-1H-imidazole-4,5-diol
InChI:
InChI=1S/C10H20N2O2/c1-4-6-8-11-9(3,13)10(14,12-8)7-5-2/h13-14H,4-7H2,1-3H3,(H,11,12)
InChI Key:
NUJDYFDUIWTAKN-UHFFFAOYSA-N
SMILES:
CCCC1=NC(C(N1)(O)CCC)(C)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
200.282g/mol
Monoisotopic Mass:
200.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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