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Home > Imidazoles > 68887-66-1
68887-66-1 | 1H-Imidazole-1-hexanoic acid
CAS No: 68887-66-1 Catalog No: AG005NNX MDL No:
Product Description
Catalog Number:
AG005NNX
Chemical Name:
1H-Imidazole-1-hexanoic acid
CAS Number:
68887-66-1
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
6-imidazol-1-ylhexanoic acid
InChI:
InChI=1S/C9H14N2O2/c12-9(13)4-2-1-3-6-11-7-5-10-8-11/h5,7-8H,1-4,6H2,(H,12,13)
InChI Key:
FTCIWLAWOWUQBL-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCn1ccnc1
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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