Dimethyl Phosphate

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CAT#:1596-AR-P31485-04Size:100 Units

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CAS Number

813-78-5

Molecular Formula

C2H7O4P

Molecular Weight

126.05

API Name

Phosphoric acid

Chemical Information

Dimethyl phosphate

Dimethylphosphate is a dialkyl phosphate.

CAS Number	813-78-5
PubChem CID	13134
IUPAC Name	dimethyl hydrogen phosphate
Molecular Formula	C2H7O4P
Molecular Weight	126.05
XLogP	-1.2
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	81

SMILES

COP(=O)(O)OC

InChI

InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)

InChIKey

KKUKTXOBAWVSHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 813-78-5

CID: 13134

Formula: C2H7O4P

MW: 126.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.05
XLogP3	-1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	126.00819570
Monoisotopic Mass	126.00819570
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	81.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-D476995-100MG	Dimethyl Phosphate
RG-D090561-01	Dimethyl Ethyl Phosphate
RG-D091382-01	Dimethyl Hydrogen Phosphate
sc-268939	Dimethyl isopropenyl phosphate
OR1040819-01	Dimethyl phenyl phosphate
RG-E242603-01	Dimethyl hydrogen phosphate and methyl dihydrogen phosphate
T210834-01	Sodium dimethyl phosphate-d6
sc-495949	Dimethyl Phosphate Sodium Salt
OR1075643	Dimethyl Phosphate-13C2 (sodium)
274584-01	1,3-Dimethylimidazolium Dimethyl Phosphate