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14668-39-4 | 3-Furancarboxylic acid, tetrahydro-5,5-dimethyl-2-oxo-, ethyl ester
CAS No: 14668-39-4 Catalog No: AG001E7W MDL No:
Product Description
Catalog Number:
AG001E7W
Chemical Name:
3-Furancarboxylic acid, tetrahydro-5,5-dimethyl-2-oxo-, ethyl ester
CAS Number:
14668-39-4
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
ethyl 5,5-dimethyl-2-oxooxolane-3-carboxylate
InChI:
InChI=1S/C9H14O4/c1-4-12-7(10)6-5-9(2,3)13-8(6)11/h6H,4-5H2,1-3H3
InChI Key:
ZBLCRMTYDQGIOK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC(OC1=O)(C)C
NSC Number:
127890
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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