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64517-78-8 | 4H-[1]Benzopyrano[3,4-d]isoxazol-4-one, 3-phenyl-
CAS No: 64517-78-8 Catalog No: AG00H6EW MDL No:
Product Description
Catalog Number:
AG00H6EW
Chemical Name:
4H-[1]Benzopyrano[3,4-d]isoxazol-4-one, 3-phenyl-
CAS Number:
64517-78-8
Molecular Formula:
C16H9NO3
Molecular Weight:
263.2476
IUPAC Name:
3-phenylchromeno[3,4-d][1,2]oxazol-4-one
InChI:
InChI=1S/C16H9NO3/c18-16-13-14(10-6-2-1-3-7-10)17-20-15(13)11-8-4-5-9-12(11)19-16/h1-9H
InChI Key:
HVXKIZKXWKOTDJ-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c2c1c(no2)c1ccccc1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.252g/mol
Monoisotopic Mass:
263.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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