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828246-81-7 | 2-Furancarboxylic acid, 5-(1,1-dimethylethoxy)-4,5-dihydro-, ethyl ester
CAS No: 828246-81-7 Catalog No: AG004XOR MDL No:
Product Description
Catalog Number:
AG004XOR
Chemical Name:
2-Furancarboxylic acid, 5-(1,1-dimethylethoxy)-4,5-dihydro-, ethyl ester
CAS Number:
828246-81-7
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
IUPAC Name:
ethyl 2-[(2-methylpropan-2-yl)oxy]-2,3-dihydrofuran-5-carboxylate
InChI:
InChI=1S/C11H18O4/c1-5-13-10(12)8-6-7-9(14-8)15-11(2,3)4/h6,9H,5,7H2,1-4H3
InChI Key:
AEPFGYKZHSRMMO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CCC(O1)OC(C)(C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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