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391684-42-7 | Hexanoic acid, 2-ethyl-, compd. with 1,2-dimethyl-1H-imidazole (1:1)
CAS No: 391684-42-7 Catalog No: AG00762K MDL No:
Product Description
Catalog Number:
AG00762K
Chemical Name:
Hexanoic acid, 2-ethyl-, compd. with 1,2-dimethyl-1H-imidazole (1:1)
CAS Number:
391684-42-7
Molecular Formula:
C13H24N2O2
Molecular Weight:
240.3419
IUPAC Name:
1,2-dimethylimidazole;2-ethylhexanoic acid
InChI:
InChI=1S/C8H16O2.C5H8N2/c1-3-5-6-7(4-2)8(9)10;1-5-6-3-4-7(5)2/h7H,3-6H2,1-2H3,(H,9,10);3-4H,1-2H3
InChI Key:
AJPSRHNIVWFIEV-UHFFFAOYSA-N
SMILES:
Cc1nccn1C.CCCCC(C(=O)O)CC
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.184g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.347g/mol
Monoisotopic Mass:
240.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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