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876721-15-2 | 4-[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID
CAS No: 876721-15-2 Catalog No: AG004H5Z MDL No:MFCD06407632
Product Description
Catalog Number:
AG004H5Z
Chemical Name:
4-[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID
CAS Number:
876721-15-2
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
MDL Number:
MFCD06407632
IUPAC Name:
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
InChI:
InChI=1S/C13H14N2O4/c1-18-10-7-5-9(6-8-10)13-14-11(19-15-13)3-2-4-12(16)17/h5-8H,2-4H2,1H3,(H,16,17)
InChI Key:
PUOYKXUDPRGQQQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1noc(n1)CCCC(=O)O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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