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1087798-90-0 | (2E)-3-{3-[(3,5-Dimethylisoxazol-4-yl)methoxy]-phenyl}acrylic acid
CAS No: 1087798-90-0 Catalog No: AG00HB8Q MDL No:MFCD13248697
Product Description
Catalog Number:
AG00HB8Q
Chemical Name:
(2E)-3-{3-[(3,5-Dimethylisoxazol-4-yl)methoxy]-phenyl}acrylic acid
CAS Number:
1087798-90-0
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
MDL Number:
MFCD13248697
IUPAC Name:
(E)-3-[3-[(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)9-19-13-5-3-4-12(8-13)6-7-15(17)18/h3-8H,9H2,1-2H3,(H,17,18)/b7-6+
InChI Key:
MBDDLNNABZOTND-VOTSOKGWSA-N
SMILES:
OC(=O)/C=C/c1cccc(c1)OCc1c(C)noc1C
Properties
Complexity:
358
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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