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19247-87-1 | Benzoic acid, 4-(5-formyl-2-furanyl)-, ethyl ester
CAS No: 19247-87-1 Catalog No: AG002G0A MDL No:MFCD00778531
Product Description
Catalog Number:
AG002G0A
Chemical Name:
Benzoic acid, 4-(5-formyl-2-furanyl)-, ethyl ester
CAS Number:
19247-87-1
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
MDL Number:
MFCD00778531
IUPAC Name:
ethyl 4-(5-formylfuran-2-yl)benzoate
InChI:
InChI=1S/C14H12O4/c1-2-17-14(16)11-5-3-10(4-6-11)13-8-7-12(9-15)18-13/h3-9H,2H2,1H3
InChI Key:
UWLKFGFYBKJASW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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