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Home > Imidazoles > 1119449-78-3
1119449-78-3 | (2E)-3-{3-[(2-ethyl-1H-imidazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid
CAS No: 1119449-78-3 Catalog No: AG0090GG MDL No:MFCD12026924
Product Description
Catalog Number:
AG0090GG
Chemical Name:
(2E)-3-{3-[(2-ethyl-1H-imidazol-1-yl)methyl]-4-methoxyphenyl}acrylic acid
CAS Number:
1119449-78-3
Molecular Formula:
C16H18N2O3
Molecular Weight:
286.3257
MDL Number:
MFCD12026924
IUPAC Name:
(E)-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]prop-2-enoic acid
InChI:
InChI=1S/C16H18N2O3/c1-3-15-17-8-9-18(15)11-13-10-12(5-7-16(19)20)4-6-14(13)21-2/h4-10H,3,11H2,1-2H3,(H,19,20)/b7-5+
InChI Key:
ZFDWIDPBIBARMQ-FNORWQNLSA-N
SMILES:
COc1ccc(cc1Cn1ccnc1CC)/C=C/C(=O)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
286.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.331g/mol
Monoisotopic Mass:
286.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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