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130533-18-5 | 3-Furancarboxylic acid, 5-(hydroperoxymethyl)-2-methyl-, ethyl ester
CAS No: 130533-18-5 Catalog No: AG000UM0 MDL No:
Product Description
Catalog Number:
AG000UM0
Chemical Name:
3-Furancarboxylic acid, 5-(hydroperoxymethyl)-2-methyl-, ethyl ester
CAS Number:
130533-18-5
Molecular Formula:
C9H12O5
Molecular Weight:
200.1886
IUPAC Name:
ethyl 5-(hydroperoxymethyl)-2-methylfuran-3-carboxylate
InChI:
InChI=1S/C9H12O5/c1-3-12-9(10)8-4-7(5-13-11)14-6(8)2/h4,11H,3,5H2,1-2H3
InChI Key:
GYIPYONWSXGQOO-UHFFFAOYSA-N
SMILES:
OOCc1oc(c(c1)C(=O)OCC)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.19g/mol
Monoisotopic Mass:
200.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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