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115084-30-5 | 2-Furanpropanoic acid, 3-carboxy-5-ethyl-4-methyl-
CAS No: 115084-30-5 Catalog No: AG000FVL MDL No:
Product Description
Catalog Number:
AG000FVL
Chemical Name:
2-Furanpropanoic acid, 3-carboxy-5-ethyl-4-methyl-
CAS Number:
115084-30-5
Molecular Formula:
C11H14O5
Molecular Weight:
226.2259
IUPAC Name:
2-(2-carboxyethyl)-5-ethyl-4-methylfuran-3-carboxylic acid
InChI:
InChI=1S/C11H14O5/c1-3-7-6(2)10(11(14)15)8(16-7)4-5-9(12)13/h3-5H2,1-2H3,(H,12,13)(H,14,15)
InChI Key:
LOHNKCJVXLFVMW-UHFFFAOYSA-N
SMILES:
CCc1oc(c(c1C)C(=O)O)CCC(=O)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.228g/mol
Monoisotopic Mass:
226.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Hepatic clearance, but not gut availability, of erythromycin is altered in patients with end-stage renal disease. | Clinical pharmacology and therapeutics 20100401 |
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