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Isopropyl Acrylate

CAT: 1299-RG-I161501-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-I161501-01Size:10 mg
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CAS Number
689-12-3
Synonyms
Isopropyl acrylate
Molecular Formula
C6H10O2
Molecular Weight
114.14
Product Name Synonym
Isopropyl acrylate

Chemical Information

Isopropyl acrylate
CAS Number689-12-3
PubChem CID12716
IUPAC Namepropan-2-yl prop-2-enoate
Molecular FormulaC6H10O2
Molecular Weight114.14
XLogP1.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity94
SMILES
CC(C)OC(=O)C=C
InChI
InChI=1S/C6H10O2/c1-4-6(7)8-5(2)3/h4-5H,1H2,2-3H3
InChIKey
LYBIZMNPXTXVMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl acrylate
CAS: 689-12-3
CID: 12716
Formula: C6H10O2
MW: 114.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight114.14
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass114.068079557
Monoisotopic Mass114.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity94.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes