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116277-67-9 | Benzoic acid, 2-phosphono-
CAS No: 116277-67-9 Catalog No: AG000C4D MDL No:
Product Description
Catalog Number:
AG000C4D
Chemical Name:
Benzoic acid, 2-phosphono-
CAS Number:
116277-67-9
Molecular Formula:
C7H7O5P
Molecular Weight:
202.1012
IUPAC Name:
2-phosphonobenzoic acid
InChI:
InChI=1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
InChI Key:
DQULYJXGTXMNTM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1P(=O)(O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.003g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
202.102g/mol
Monoisotopic Mass:
202.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| An enantioenriched vanadium phosphonate generated via asymmetric chiral amplification of crystallization from achiral sources showing a single-crystal-to-single-crystal dehydration process. | Chemical communications (Cambridge, England) 20120704 |
| Comparison of thorium(IV) and uranium(VI) carboxyphosphonates. | Inorganic chemistry 20100621 |
| BF3 x Et2O-mediated cascade cyclizations: synthesis of schweinfurthins F and G. | The Journal of organic chemistry 20081017 |
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