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Home > Imidazoles > 365542-37-6
365542-37-6 | 2-[2-(1H-Imidazol-2-yl)-vinyl]-6-methoxy-benzoic acid ethyl ester
CAS No: 365542-37-6 Catalog No: AG00JS4T MDL No:
Product Description
Catalog Number:
AG00JS4T
Chemical Name:
2-[2-(1H-Imidazol-2-yl)-vinyl]-6-methoxy-benzoic acid ethyl ester
CAS Number:
365542-37-6
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
IUPAC Name:
ethyl 2-[(E)-2-(1H-imidazol-2-yl)ethenyl]-6-methoxybenzoate
InChI:
InChI=1S/C15H16N2O3/c1-3-20-15(18)14-11(5-4-6-12(14)19-2)7-8-13-16-9-10-17-13/h4-10H,3H2,1-2H3,(H,16,17)/b8-7+
InChI Key:
SVPGSSCWCGPVCK-BQYQJAHWSA-N
SMILES:
CCOC(=O)c1c(cccc1OC)/C=C/c1ncc[nH]1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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