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831222-90-3 | 6-Benzofurancarboxylic acid, 4-methoxy-, ethyl ester
CAS No: 831222-90-3 Catalog No: AG00512I MDL No:MFCD25967575
Product Description
Catalog Number:
AG00512I
Chemical Name:
6-Benzofurancarboxylic acid, 4-methoxy-, ethyl ester
CAS Number:
831222-90-3
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD25967575
IUPAC Name:
ethyl 4-methoxy-1-benzofuran-6-carboxylate
InChI:
InChI=1S/C12H12O4/c1-3-15-12(13)8-6-10(14-2)9-4-5-16-11(9)7-8/h4-7H,3H2,1-2H3
InChI Key:
BZDCWOTVJIMLPE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(OC)c2c(c1)occ2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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