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121638-36-6 | 5-Benzofuranacetic acid, methyl ester
CAS No: 121638-36-6 Catalog No: AG0015GF MDL No:MFCD23378472
Product Description
Catalog Number:
AG0015GF
Chemical Name:
5-Benzofuranacetic acid, methyl ester
CAS Number:
121638-36-6
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD23378472
IUPAC Name:
methyl 2-(1-benzofuran-5-yl)acetate
InChI:
InChI=1S/C11H10O3/c1-13-11(12)7-8-2-3-10-9(6-8)4-5-14-10/h2-6H,7H2,1H3
InChI Key:
NWJZDOMVKSLTSL-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1occc2c1ccc2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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