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188648-35-3 | Benzoic acid, 4-[4-(2-furanylmethylene)-4,5-dihydro-5-oxo-3-isoxazolyl]-
CAS No: 188648-35-3 Catalog No: AG002H32 MDL No:
Product Description
Catalog Number:
AG002H32
Chemical Name:
Benzoic acid, 4-[4-(2-furanylmethylene)-4,5-dihydro-5-oxo-3-isoxazolyl]-
CAS Number:
188648-35-3
Molecular Formula:
C15H9NO5
Molecular Weight:
283.2357
IUPAC Name:
4-[4-(furan-2-ylmethylidene)-5-oxo-1,2-oxazol-3-yl]benzoic acid
InChI:
InChI=1S/C15H9NO5/c17-14(18)10-5-3-9(4-6-10)13-12(15(19)21-16-13)8-11-2-1-7-20-11/h1-8H,(H,17,18)
InChI Key:
NVHIXTPOJVARIH-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1=Cc1ccco1)c1ccc(cc1)C(=O)O
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.239g/mol
Monoisotopic Mass:
283.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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