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67200-53-7 | 2-Propenoic acid, 3-(1H-benzimidazol-1-yl)-, ethyl ester, (E)-
CAS No: 67200-53-7 Catalog No: AG005QGV MDL No:
Product Description
Catalog Number:
AG005QGV
Chemical Name:
2-Propenoic acid, 3-(1H-benzimidazol-1-yl)-, ethyl ester, (E)-
CAS Number:
67200-53-7
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
ethyl 3-(benzimidazol-1-yl)prop-2-enoate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)7-8-14-9-13-10-5-3-4-6-11(10)14/h3-9H,2H2,1H3
InChI Key:
KBDQNVKFOUMGAN-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/n1cnc2c1cccc2
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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