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102504-43-8 | Acetic acid, [(2-hexyl-1H-imidazol-1-yl)oxy]oxo- (9CI)
CAS No: 102504-43-8 Catalog No: AG0007MC MDL No:
Product Description
Catalog Number:
AG0007MC
Chemical Name:
Acetic acid, [(2-hexyl-1H-imidazol-1-yl)oxy]oxo- (9CI)
CAS Number:
102504-43-8
Molecular Formula:
C11H16N2O4
Molecular Weight:
240.2557
IUPAC Name:
2-(2-hexylimidazol-1-yl)oxy-2-oxoacetic acid
InChI:
InChI=1S/C11H16N2O4/c1-2-3-4-5-6-9-12-7-8-13(9)17-11(16)10(14)15/h7-8H,2-6H2,1H3,(H,14,15)
InChI Key:
HSQFLMVUGHMYTG-UHFFFAOYSA-N
SMILES:
CCCCCCc1nccn1OC(=O)C(=O)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.259g/mol
Monoisotopic Mass:
240.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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