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651326-25-9 | Benzoic acid, 4-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)-, methyl ester
CAS No: 651326-25-9 Catalog No: AG006QUR MDL No:
Product Description
Catalog Number:
AG006QUR
Chemical Name:
Benzoic acid, 4-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)-, methyl ester
CAS Number:
651326-25-9
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
methyl 4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoate
InChI:
InChI=1S/C12H14N2O2/c1-14-8-7-13-11(14)9-3-5-10(6-4-9)12(15)16-2/h3-6H,7-8H2,1-2H3
InChI Key:
IXUUYTOHJRZRCX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C1=NCCN1C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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