Methyl Diethylphosphonoacetate

CAT: 0572-TRC-M301703-500MGSize: 500 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-M301703-500MGSize:500 mg

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CAS Number

1067-74-9

Hazard Statement

No Data Available

Smiles

CCOP(=O)(CC(=O)OC)OCC

Molecular Formula

C7H15O5P

Molecular Weight

210.16

Shipping Conditions

Room Temperature

Chemical Information

Methyl diethylphosphonoacetate

CAS Number	1067-74-9
PubChem CID	66113
IUPAC Name	methyl 2-diethoxyphosphorylacetate
Molecular Formula	C7H15O5P
Molecular Weight	210.16
XLogP	0.1
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	13
Formal Charge	0
Complexity	193

SMILES

CCOP(=O)(CC(=O)OC)OCC

InChI

InChI=1S/C7H15O5P/c1-4-11-13(9,12-5-2)6-7(8)10-3/h4-6H2,1-3H3

InChIKey

CTSAXXHOGZNKJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1067-74-9

CID: 66113

Formula: C7H15O5P

MW: 210.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.16
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	210.06571057
Monoisotopic Mass	210.06571057
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	193
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

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