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2-Hydroxy-3-Phenoxypropyl Acrylate

CAT: 0127-OR1010471-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1010471-01Size:25 g
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CAS Number
16969-10-1
MDL Number
MFCD08693265
Purity
85%, stabilized with MEHQ
Smiles
OC(COC(=O)C=C)COc1ccccc1
Notes
Stabilised with MEHQ

Chemical Information

2-Hydroxy-3-phenoxypropyl prop-2-enoate
CAS Number16969-10-1
PubChem CID4443516
IUPAC Name(2-hydroxy-3-phenoxypropyl) prop-2-enoate
Molecular FormulaC12H14O4
Molecular Weight222.24
XLogP1.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity221
SMILES
C=CC(=O)OCC(COC1=CC=CC=C1)O
InChI
InChI=1S/C12H14O4/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11/h2-7,10,13H,1,8-9H2
InChIKey
HHQAGBQXOWLTLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-3-phenoxypropyl prop-2-enoate
CAS: 16969-10-1
CID: 4443516
Formula: C12H14O4
MW: 222.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight222.24
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass222.08920892
Monoisotopic Mass222.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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