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84102-77-2 | Methyl 5-cyanobenzofuran-2-carboxylate
CAS No: 84102-77-2 Catalog No: AG004SSU MDL No:MFCD08753860
Product Description
Catalog Number:
AG004SSU
Chemical Name:
Methyl 5-cyanobenzofuran-2-carboxylate
CAS Number:
84102-77-2
Molecular Formula:
C11H7NO3
Molecular Weight:
201.1782
MDL Number:
MFCD08753860
IUPAC Name:
methyl 5-cyano-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C11H7NO3/c1-14-11(13)10-5-8-4-7(6-12)2-3-9(8)15-10/h2-5H,1H3
InChI Key:
JHRYAFRCGFDTSK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(o1)ccc(c2)C#N
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.181g/mol
Monoisotopic Mass:
201.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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