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Phenyl Phosphate

CAT: 0926-FP179128-02Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FP179128-02Size:50 g
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CAS Number
701-64-4
Smiles
C1=CC=C (C=C1) OP (=O) (O) O
Molecular Formula
C6H7O4P
Molecular Weight
174.09 g/mol
Controlled
No

Chemical Information

Phenyl phosphate

Phenyl phosphate is an aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol. It has a role as a mouse metabolite. It is a conjugate acid of a phenyl phosphate(2-).

CAS Number701-64-4
PubChem CID12793
IUPAC Namephenyl dihydrogen phosphate
Molecular FormulaC6H7O4P
Molecular Weight174.09
XLogP0.3
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
C1=CC=C(C=C1)OP(=O)(O)O
InChI
InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey
CMPQUABWPXYYSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenyl phosphate
CAS: 701-64-4
CID: 12793
Formula: C6H7O4P
MW: 174.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.09
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass174.00819570
Monoisotopic Mass174.00819570
Topological Polar Surface Area66.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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