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3-Methoxybutyl acrylate

CAT: 0127-OR1065722-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1065722-01Size:100 mg
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CAS Number
2768-07-2
MDL Number
MFCD00048152
Purity
95% (stabilized with TBC)
Smiles
C=CC(OCCC(OC)C)=O

Chemical Information

3-Methoxybutyl acrylate
CAS Number2768-07-2
PubChem CID95218
IUPAC Name3-methoxybutyl prop-2-enoate
Molecular FormulaC8H14O3
Molecular Weight158.19
XLogP1.3
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity131
SMILES
CC(CCOC(=O)C=C)OC
InChI
InChI=1S/C8H14O3/c1-4-8(9)11-6-5-7(2)10-3/h4,7H,1,5-6H2,2-3H3
InChIKey
NPYMXLXNEYZTMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxybutyl acrylate
CAS: 2768-07-2
CID: 95218
Formula: C8H14O3
MW: 158.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight158.19
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass158.094294304
Monoisotopic Mass158.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity131
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