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6-Acryloyloxyhexyl phosphate

CAT: 0013-GTR19193205-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193205-01Size:1 mg
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Description
PA 21
CAS Number
125200-63-7
Product Name Alternative
PA 21, PA21, PA-21
Purity
≥98% (May vary between batches)
Smiles
O=C (OCCCCCCO) C=C.O=P (O) (O) O
Molecular Formula
C9H16O3 xH3O4P
Molecular Weight
270.218
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PA 21
CAS Number125200-63-7
PubChem CID71300625
IUPAC Name6-hydroxyhexyl prop-2-enoate;phosphoric acid
Molecular FormulaC9H19O7P
Molecular Weight270.22
Topological Polar Surface Area124
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count17
Formal Charge0
Complexity182
SMILES
C=CC(=O)OCCCCCCO.OP(=O)(O)O
InChI
InChI=1S/C9H16O3.H3O4P/c1-2-9(11)12-8-6-4-3-5-7-10;1-5(2,3)4/h2,10H,1,3-8H2;(H3,1,2,3,4)
InChIKey
SJAVPVPYZYIHRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PA 21
CAS: 125200-63-7
CID: 71300625
Formula: C9H19O7P
MW: 270.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.22
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass270.08683994
Monoisotopic Mass270.08683994
Topological Polar Surface Area124 Ų
Heavy Atom Count17
Formal Charge0
Complexity182
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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