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25054-57-3 | 1,3,2-Benzodioxaphosphole-5-carboxylic acid, 2,7-dihydroxy-, 2-oxide
CAS No: 25054-57-3 Catalog No: AG002Q9X MDL No:
Product Description
Catalog Number:
AG002Q9X
Chemical Name:
1,3,2-Benzodioxaphosphole-5-carboxylic acid, 2,7-dihydroxy-, 2-oxide
CAS Number:
25054-57-3
Molecular Formula:
C7H5O7P
Molecular Weight:
232.0842
IUPAC Name:
2,4-dihydroxy-2-oxo-1,3,2λ5-benzodioxaphosphole-6-carboxylic acid
InChI:
InChI=1S/C7H5O7P/c8-4-1-3(7(9)10)2-5-6(4)14-15(11,12)13-5/h1-2,8H,(H,9,10)(H,11,12)
InChI Key:
UNGHJMLYSAKNOS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2OP(=O)(Oc2c(c1)O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.977g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
232.084g/mol
Monoisotopic Mass:
231.977g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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