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Home > Imidazoles > 305806-36-4
305806-36-4 | Benzoic acid, 4-(1-methyl-1H-imidazol-5-yl)-, methyl ester
CAS No: 305806-36-4 Catalog No: AG0030KT MDL No:
Product Description
Catalog Number:
AG0030KT
Chemical Name:
Benzoic acid, 4-(1-methyl-1H-imidazol-5-yl)-, methyl ester
CAS Number:
305806-36-4
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
methyl 4-(3-methylimidazol-4-yl)benzoate
InChI:
InChI=1S/C12H12N2O2/c1-14-8-13-7-11(14)9-3-5-10(6-4-9)12(15)16-2/h3-8H,1-2H3
InChI Key:
AZZYITPNJRYJMY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1cncn1C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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