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130533-19-6 | 3-Furancarboxylic acid, 5-(1-hydroperoxyethyl)-2-methyl-, ethyl ester
CAS No: 130533-19-6 Catalog No: AG000ULZ MDL No:
Product Description
Catalog Number:
AG000ULZ
Chemical Name:
3-Furancarboxylic acid, 5-(1-hydroperoxyethyl)-2-methyl-, ethyl ester
CAS Number:
130533-19-6
Molecular Formula:
C10H14O5
Molecular Weight:
214.2152
IUPAC Name:
ethyl 5-(1-hydroperoxyethyl)-2-methylfuran-3-carboxylate
InChI:
InChI=1S/C10H14O5/c1-4-13-10(11)8-5-9(7(3)15-12)14-6(8)2/h5,7,12H,4H2,1-3H3
InChI Key:
WRPMIDGXURHTOD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(oc1C)C(OO)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.217g/mol
Monoisotopic Mass:
214.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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