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1050884-51-9 | (2E)-3-{4-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl}acrylic acid
CAS No: 1050884-51-9 Catalog No: AG009NCZ MDL No:MFCD10686683
Product Description
Catalog Number:
AG009NCZ
Chemical Name:
(2E)-3-{4-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl}acrylic acid
CAS Number:
1050884-51-9
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
MDL Number:
MFCD10686683
IUPAC Name:
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
InChI:
InChI=1S/C15H15NO4/c1-10-14(11(2)20-16-10)9-19-13-6-3-12(4-7-13)5-8-15(17)18/h3-8H,9H2,1-2H3,(H,17,18)/b8-5+
InChI Key:
BQZPGKUDULVQNI-VMPITWQZSA-N
SMILES:
OC(=O)/C=C/c1ccc(cc1)OCc1c(C)noc1C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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