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130106-48-8 | 3-Benzofuranacetic acid, 2,3-dihydro-, ethyl ester
CAS No: 130106-48-8 Catalog No: AG000U0K MDL No:
Product Description
Catalog Number:
AG000U0K
Chemical Name:
3-Benzofuranacetic acid, 2,3-dihydro-, ethyl ester
CAS Number:
130106-48-8
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
ethyl 2-(2,3-dihydro-1-benzofuran-2-yl)acetate
InChI:
InChI=1S/C12H14O3/c1-2-14-12(13)8-10-7-9-5-3-4-6-11(9)15-10/h3-6,10H,2,7-8H2,1H3
InChI Key:
PMSCEZJJMWMJJV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1Cc2c(O1)cccc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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