Home Other Building Blocks 3-Acetoxybenzofuran

3-Acetoxybenzofuran

CAS No.:
93680-80-9
Catalog Number:
AG003ISV
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
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Product Description
Catalog Number:
AG003ISV
Chemical Name:
3-Acetoxybenzofuran
CAS Number:
93680-80-9
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD00151788
IUPAC Name:
1-benzofuran-3-yl acetate
InChI:
InChI=1S/C10H8O3/c1-7(11)13-10-6-12-9-5-3-2-4-8(9)10/h2-6H,1H3
InChI Key:
XCBLZAJCKKRBED-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1coc2c1cccc2
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties