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773851-02-8 | 2,1-Benzisoxazol-3(1H)-one,5-methoxy-(9CI)
CAS No: 773851-02-8 Catalog No: AG00GC4H MDL No:
Product Description
Catalog Number:
AG00GC4H
Chemical Name:
2,1-Benzisoxazol-3(1H)-one,5-methoxy-(9CI)
CAS Number:
773851-02-8
IUPAC Name:
5-methoxy-1H-2,1-benzoxazol-3-one
InChI:
InChI=1S/C8H7NO3/c1-11-5-2-3-7-6(4-5)8(10)12-9-7/h2-4,9H,1H3
InChI Key:
QHDMKCBUPTWYHK-UHFFFAOYSA-N
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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