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13156-09-7 | 3-Furancarboxylic acid, 2,5-dihydro-4,5,5-trimethyl-2-oxo-, ethyl ester
CAS No: 13156-09-7 Catalog No: AG000ZFN MDL No:
Product Description
Catalog Number:
AG000ZFN
Chemical Name:
3-Furancarboxylic acid, 2,5-dihydro-4,5,5-trimethyl-2-oxo-, ethyl ester
CAS Number:
13156-09-7
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
IUPAC Name:
ethyl 4,5,5-trimethyl-2-oxofuran-3-carboxylate
InChI:
InChI=1S/C10H14O4/c1-5-13-8(11)7-6(2)10(3,4)14-9(7)12/h5H2,1-4H3
InChI Key:
BDTNXBWTCYIISE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)C(OC1=O)(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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