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379250-83-6 | 4-(3,5-Dimethyl-isoxazol-4-ylmethoxy)-benzoic acid
CAS No: 379250-83-6 Catalog No: AG00I7GQ MDL No:MFCD02654899
Product Description
Catalog Number:
AG00I7GQ
Chemical Name:
4-(3,5-Dimethyl-isoxazol-4-ylmethoxy)-benzoic acid
CAS Number:
379250-83-6
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD02654899
IUPAC Name:
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
InChI:
InChI=1S/C13H13NO4/c1-8-12(9(2)18-14-8)7-17-11-5-3-10(4-6-11)13(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChI Key:
FZZOXUGENAQGIJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OCc1c(C)noc1C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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