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229344-36-9 | 1H-2,3-Benzoxaphosphorin-1-one, 3,4-dihydro-3-hydroxy-, 3-oxide
CAS No: 229344-36-9 Catalog No: AG002LKD MDL No:
Product Description
Catalog Number:
AG002LKD
Chemical Name:
1H-2,3-Benzoxaphosphorin-1-one, 3,4-dihydro-3-hydroxy-, 3-oxide
CAS Number:
229344-36-9
Molecular Formula:
C8H7O4P
Molecular Weight:
198.1125
IUPAC Name:
3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one
InChI:
InChI=1S/C8H7O4P/c9-8-7-4-2-1-3-6(7)5-13(10,11)12-8/h1-4H,5H2,(H,10,11)
InChI Key:
OXQGBZDCUACWFZ-UHFFFAOYSA-N
SMILES:
O=C1OP(=O)(O)Cc2c1cccc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.114g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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