Triethyl phosphonoformate

CAT: 0127-OR315238-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR315238-01Size:25 g

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CAS Number

1474-78-8

MDL Number

MFCD00009108

Purity

98%

Smiles

CCOC(=O)P(=O)(OCC)OCC

Chemical Information

Phosphinecarboxylic acid, 1,1-diethoxy-, ethyl ester, 1-oxide

CAS Number	1474-78-8
PubChem CID	65081
IUPAC Name	ethyl diethoxyphosphorylformate
Molecular Formula	C7H15O5P
Molecular Weight	210.16
XLogP	0.8
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

CCOC(=O)P(=O)(OCC)OCC

InChI

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

InChIKey

NOJFJZZMRDSOLM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1474-78-8

CID: 65081

Formula: C7H15O5P

MW: 210.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.16
XLogP3	0.8
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

Catalog	Name
OR1028170-01	Triethyl Orthobutyrate
OR16612-01	Triethyl orthoformate
OR53122-01	Triethyl orthobenzoate
OR1078348-01	Triethyl Orthopropionate
OR1015323	Triethyl Orthoacetate
OR1078431-01	Triethyl Orthodichloroacetate
BUP19742	Triethyl citrate
OR903316-01	Triethyl methanetricarboxylate
OR323285-01	Triethyl phosphate
OR98032	Triethyl phosphite

Catalog	Name
FT28592	Trisodium phosphonoformate hexahydrate
591669	Triethyl citrate
ZAA96476	Triethyl Orthobutyrate
FT75374-01	Triethyl orthobenzoate
HY-Y0677-01	Triethyl phosphonoacetate
166928	Triethyl Orthoacetate
TRC-T574880-250MG	Triethyl aconitate
RG-T180906-01	Triethyl Phosphite
abx182699-01	Triethyl orthopropionate
GK5301-25ml	Triethyl orthoformate