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Home > Imidazoles > 870837-50-6
870837-50-6 | methyl (2E)-3-[4-(1H-imidazol-1-yl)phenyl]prop-2-enoate
CAS No: 870837-50-6 Catalog No: AG00IT8O MDL No:MFCD05670003
Product Description
Catalog Number:
AG00IT8O
Chemical Name:
methyl (2E)-3-[4-(1H-imidazol-1-yl)phenyl]prop-2-enoate
CAS Number:
870837-50-6
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD05670003
IUPAC Name:
methyl 3-(4-imidazol-1-ylphenyl)prop-2-enoate
InChI:
InChI=1S/C13H12N2O2/c1-17-13(16)7-4-11-2-5-12(6-3-11)15-9-8-14-10-15/h2-10H,1H3
InChI Key:
FZLFPOQKXZBPLI-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/c1ccc(cc1)n1cncc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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