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56455-27-7 | Benzofuro[2,3-d]isoxazole (9CI)
CAS No: 56455-27-7 Catalog No: AG00EOAN MDL No:
Product Description
Catalog Number:
AG00EOAN
Chemical Name:
Benzofuro[2,3-d]isoxazole (9CI)
CAS Number:
56455-27-7
IUPAC Name:
[1]benzofuro[2,3-d][1,2]oxazole
InChI:
InChI=1S/C9H5NO2/c1-2-4-7-6(3-1)9-8(11-7)5-10-12-9/h1-5H
InChI Key:
ZZNYIXMOBQHWEG-UHFFFAOYSA-N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.144g/mol
Monoisotopic Mass:
159.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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