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5698-78-2 | 2,5(4H)-Benzoxazolinedione (8CI)
CAS No: 5698-78-2 Catalog No: AG00EW8X MDL No:
Product Description
Catalog Number:
AG00EW8X
Chemical Name:
2,5(4H)-Benzoxazolinedione (8CI)
CAS Number:
5698-78-2
IUPAC Name:
3,4-dihydro-1,3-benzoxazole-2,5-dione
InChI:
InChI=1S/C7H5NO3/c9-4-1-2-6-5(3-4)8-7(10)11-6/h1-2H,3H2,(H,8,10)
InChI Key:
UZCPQXOTJKNPKJ-UHFFFAOYSA-N
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.121g/mol
Monoisotopic Mass:
151.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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