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872729-53-8 | 1H-Imidazole-1-decanoic acid, 2-methyl-
CAS No: 872729-53-8 Catalog No: AG004I99 MDL No:
Product Description
Catalog Number:
AG004I99
Chemical Name:
1H-Imidazole-1-decanoic acid, 2-methyl-
CAS Number:
872729-53-8
Molecular Formula:
C14H24N2O2
Molecular Weight:
252.3526
IUPAC Name:
10-(2-methylimidazol-1-yl)decanoic acid
InChI:
InChI=1S/C14H24N2O2/c1-13-15-10-12-16(13)11-8-6-4-2-3-5-7-9-14(17)18/h10,12H,2-9,11H2,1H3,(H,17,18)
InChI Key:
RCDAORBGVHNUAO-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCn1ccnc1C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.184g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.358g/mol
Monoisotopic Mass:
252.184g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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