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1829-25-0 | 1-METHOXY-1,2-BENZIODOXOL-3-(1H)-ONE
CAS No: 1829-25-0 Catalog No: AG01DKXS MDL No:
Product Description
Catalog Number:
AG01DKXS
Chemical Name:
1-METHOXY-1,2-BENZIODOXOL-3-(1H)-ONE
CAS Number:
1829-25-0
IUPAC Name:
1-methoxy-1λ3,2-benziodoxol-3-one
InChI:
InChI=1S/C8H7IO3/c1-11-9-7-5-3-2-4-6(7)8(10)12-9/h2-5H,1H3
InChI Key:
LUERUKOXOOMVNM-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:
277.944g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.045g/mol
Monoisotopic Mass:
277.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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