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303064-47-3 | 2-Furancarboxylic acid, 3-methyl-5-(phenoxymethyl)-
CAS No: 303064-47-3 Catalog No: AG002ZLH MDL No:MFCD00469699
Product Description
Catalog Number:
AG002ZLH
Chemical Name:
2-Furancarboxylic acid, 3-methyl-5-(phenoxymethyl)-
CAS Number:
303064-47-3
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
MDL Number:
MFCD00469699
IUPAC Name:
3-methyl-5-(phenoxymethyl)furan-2-carboxylic acid
InChI:
InChI=1S/C13H12O4/c1-9-7-11(17-12(9)13(14)15)8-16-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15)
InChI Key:
AJUGKZCPMRYOAV-UHFFFAOYSA-N
SMILES:
OC(=O)c1oc(cc1C)COc1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.7A^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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