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82156-58-9 | Ethyl 2-(benzofuran-3-yl);acetate
CAS No: 82156-58-9 Catalog No: AG004W4L MDL No:MFCD08060514
Product Description
Catalog Number:
AG004W4L
Chemical Name:
Ethyl 2-(benzofuran-3-yl);acetate
CAS Number:
82156-58-9
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD08060514
IUPAC Name:
ethyl 2-(1-benzofuran-3-yl)acetate
InChI:
InChI=1S/C12H12O3/c1-2-14-12(13)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8H,2,7H2,1H3
InChI Key:
LSGDCGDXQLDKGO-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1coc2c1cccc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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