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23589-02-8 | 2-Furanpropanoic acid, 5-(4-chlorophenyl)-
CAS No: 23589-02-8 Catalog No: AG002NSA MDL No:MFCD03110270
Product Description
Catalog Number:
AG002NSA
Chemical Name:
2-Furanpropanoic acid, 5-(4-chlorophenyl)-
CAS Number:
23589-02-8
Molecular Formula:
C13H11ClO3
Molecular Weight:
250.6776
MDL Number:
MFCD03110270
IUPAC Name:
3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid
InChI:
InChI=1S/C13H11ClO3/c14-10-3-1-9(2-4-10)12-7-5-11(17-12)6-8-13(15)16/h1-5,7H,6,8H2,(H,15,16)
InChI Key:
FIXOHABRIXQDMY-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(o1)c1ccc(cc1)Cl
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.678g/mol
Monoisotopic Mass:
250.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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