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884497-55-6 | 3-{5-[(E)-(3-METHYL-5-OXOISOXAZOL-4(5H)-YLIDENE)METHYL]-2-FURYL}BENZOIC ACID
CAS No: 884497-55-6 Catalog No: AG004EJ2 MDL No:MFCD02786269
Product Description
Catalog Number:
AG004EJ2
Chemical Name:
3-{5-[(E)-(3-METHYL-5-OXOISOXAZOL-4(5H)-YLIDENE)METHYL]-2-FURYL}BENZOIC ACID
CAS Number:
884497-55-6
Molecular Formula:
C16H11NO5
Molecular Weight:
297.2622
MDL Number:
MFCD02786269
IUPAC Name:
3-[5-[(E)-(3-methyl-5-oxo-1,2-oxazol-4-ylidene)methyl]furan-2-yl]benzoic acid
InChI:
InChI=1S/C16H11NO5/c1-9-13(16(20)22-17-9)8-12-5-6-14(21-12)10-3-2-4-11(7-10)15(18)19/h2-8H,1H3,(H,18,19)/b13-8+
InChI Key:
LLGRSOQSFREAIM-MDWZMJQESA-N
SMILES:
O=C1ON=C(/C/1=C\c1ccc(o1)c1cccc(c1)C(=O)O)C
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
297.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.266g/mol
Monoisotopic Mass:
297.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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