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Home Other Building Blocks Benzoic acid, 3-phosphono-

Benzoic acid, 3-phosphono-

CAS No.:
14899-31-1
Catalog Number:
AG001LBJ
Molecular Formula:
C7H7O5P
Molecular Weight:
202.1012
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Product Description
Catalog Number:
AG001LBJ
Chemical Name:
Benzoic acid, 3-phosphono-
CAS Number:
14899-31-1
Molecular Formula:
C7H7O5P
Molecular Weight:
202.1012
MDL Number:
MFCD00159422
IUPAC Name:
3-phosphonobenzoic acid
InChI:
InChI=1S/C7H7O5P/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
InChI Key:
ZKKXCRILZNBJJM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)P(=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
Tailoring the photoluminescence properties of transition metal phosphonates. Dalton transactions (Cambridge, England : 2003) 20100714
Properties