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Home > Imidazoles > 860344-75-8
860344-75-8 | Benzoic acid, 4-[(1E)-2-(1H-imidazol-4-yl)ethenyl]-
CAS No: 860344-75-8 Catalog No: AG004V1D MDL No:
Product Description
Catalog Number:
AG004V1D
Chemical Name:
Benzoic acid, 4-[(1E)-2-(1H-imidazol-4-yl)ethenyl]-
CAS Number:
860344-75-8
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
4-[2-(1H-imidazol-5-yl)ethenyl]benzoic acid
InChI:
InChI=1S/C12H10N2O2/c15-12(16)10-4-1-9(2-5-10)3-6-11-7-13-8-14-11/h1-8H,(H,13,14)(H,15,16)
InChI Key:
SYRMMCZUTANLKK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)/C=C/c1c[nH]cn1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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