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Home > Imidazoles > 932893-96-4
932893-96-4 | 3-[(2-ethyl-1H-imidazol-1-yl)methyl]-4-methoxybenzoic acid
CAS No: 932893-96-4 Catalog No: AG00JDB6 MDL No:MFCD10485510
Product Description
Catalog Number:
AG00JDB6
Chemical Name:
3-[(2-ethyl-1H-imidazol-1-yl)methyl]-4-methoxybenzoic acid
CAS Number:
932893-96-4
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
MDL Number:
MFCD10485510
IUPAC Name:
3-[(2-ethylimidazol-1-yl)methyl]-4-methoxybenzoic acid
InChI:
InChI=1S/C14H16N2O3/c1-3-13-15-6-7-16(13)9-11-8-10(14(17)18)4-5-12(11)19-2/h4-8H,3,9H2,1-2H3,(H,17,18)
InChI Key:
PTAMACAERNFZKK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cn1ccnc1CC)C(=O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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