AGN 194204 Impurity 6

CAT: 1596-AR-A05786-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-A05786-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

41891-54-7

Molecular Formula

C11H21O5P

Molecular Weight

264.26

API Name

Agn 194204

Chemical Information

Ethyl 4-(diethoxyphosphoryl)-3-methylbut-2-enoate

CAS Number	41891-54-7
PubChem CID	6000084
IUPAC Name	ethyl (E)-4-diethoxyphosphoryl-3-methylbut-2-enoate
Molecular Formula	C11H21O5P
Molecular Weight	264.25
XLogP	1.3
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	17
Formal Charge	0
Complexity	301

SMILES

CCOC(=O)/C=C(\C)/CP(=O)(OCC)OCC

InChI

InChI=1S/C11H21O5P/c1-5-14-11(12)8-10(4)9-17(13,15-6-2)16-7-3/h8H,5-7,9H2,1-4H3/b10-8+

InChIKey

OQKGPUSERILONW-CSKARUKUSA-N

Chemical Structure

2D Structure

CAS: 41891-54-7

CID: 6000084

Formula: C11H21O5P

MW: 264.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.25
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	264.11266076
Monoisotopic Mass	264.11266076
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	301
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-G271005-01	Gc376 Impurity 5; Nirmatrelvir Impurity
RM-D160722-01	Dapagliflozin Impurity POE (hydroperoxy impurity)
RM-R210211-01	Rivaroxaban Impurity Iv (Potential Impurity)
RM-R210212-01	Rivaroxaban Impurity V (Potential Impurity)
OR1007264-01	Ibrutinib Impurity 28 (Ibrutinib Impurity)
OR1005881	Ibrutinib Impurity 15 (Ibrutinib Impurity)
TRC-S676665-100MG	Solifenacin EP Impurity A Nitroso Impurity
RM-C250247-01	Cytarabine Impurity 47; Azacitidine Impurity 24; Cytidine Impurity 10
RM-G271003-01	Gc376 Impurity 3; Nirmatrelvir Impurity
RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity