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Home > Imidazoles > 143945-86-2
143945-86-2 | 2-Propenoic acid, 3-[4-(1H-imidazol-1-ylmethyl)phenyl]-, (Z)-
CAS No: 143945-86-2 Catalog No: AG007J9P MDL No:
Product Description
Catalog Number:
AG007J9P
Chemical Name:
2-Propenoic acid, 3-[4-(1H-imidazol-1-ylmethyl)phenyl]-, (Z)-
CAS Number:
143945-86-2
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)
InChI Key:
SHZKQBHERIJWAO-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\c1ccc(cc1)Cn1ccnc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
Literature
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