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Home > Imidazoles > 773112-47-3
773112-47-3 | 2-Propenoic acid,2-methyl-3-(1-methyl-1H-imidazol-2-yl)-
CAS No: 773112-47-3 Catalog No: AG005CZ8 MDL No:
Product Description
Catalog Number:
AG005CZ8
Chemical Name:
2-Propenoic acid,2-methyl-3-(1-methyl-1H-imidazol-2-yl)-
CAS Number:
773112-47-3
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
2-methyl-3-(1-methylimidazol-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C8H10N2O2/c1-6(8(11)12)5-7-9-3-4-10(7)2/h3-5H,1-2H3,(H,11,12)
InChI Key:
YSBJHQWXLPFYOX-UHFFFAOYSA-N
SMILES:
OC(=O)C(=Cc1nccn1C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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