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1099617-92-1 | 3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid
CAS No: 1099617-92-1 Catalog No: AG01ABRW MDL No:
Product Description
Catalog Number:
AG01ABRW
Chemical Name:
3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid
CAS Number:
1099617-92-1
Molecular Formula:
C15H15NO5
Molecular Weight:
289.2833
IUPAC Name:
3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C15H15NO5/c1-2-19-13-5-3-4-11(6-7-14(17)18)15(13)20-10-12-8-9-16-21-12/h3-9H,2,10H2,1H3,(H,17,18)
InChI Key:
NGJSIEFTSUBBOM-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1OCc1ccno1)C=CC(=O)O
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.287g/mol
Monoisotopic Mass:
289.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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