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23589-06-2 | 2-Furanpropanoic acid, 5-(4-methylphenyl)-
CAS No: 23589-06-2 Catalog No: AG002NS8 MDL No:MFCD03110272
Product Description
Catalog Number:
AG002NS8
Chemical Name:
2-Furanpropanoic acid, 5-(4-methylphenyl)-
CAS Number:
23589-06-2
Molecular Formula:
C14H14O3
Molecular Weight:
230.2592
MDL Number:
MFCD03110272
IUPAC Name:
3-[5-(4-methylphenyl)furan-2-yl]propanoic acid
InChI:
InChI=1S/C14H14O3/c1-10-2-4-11(5-3-10)13-8-6-12(17-13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16)
InChI Key:
XIEFXNUAGJCARS-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(o1)c1ccc(cc1)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.263g/mol
Monoisotopic Mass:
230.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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