Home Other Building Blocks 4-(dimethylphosphoryl)benzoic acid

4-(dimethylphosphoryl)benzoic acid

CAS No.:
53888-91-8
Catalog Number:
AG01CAEA
Molecular Formula:
C9H11O3P
Molecular Weight:
198.1556
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Product Description
Catalog Number:
AG01CAEA
Chemical Name:
4-(dimethylphosphoryl)benzoic acid
CAS Number:
53888-91-8
Molecular Formula:
C9H11O3P
Molecular Weight:
198.1556
MDL Number:
MFCD00465310
IUPAC Name:
4-dimethylphosphorylbenzoic acid
InChI:
InChI=1S/C9H11O3P/c1-13(2,12)8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3,(H,10,11)
InChI Key:
GCTILNTUUBVYEF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)P(=O)(C)C
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.158g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties