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Methyl 3- (2-thienyl) acrylate

CAT: 0024-sc-269454Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-269454Size:1 g
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CAS Number
20883-96-9

Chemical Information

Methyl 3-(2-thienyl)acrylate
CAS Number20883-96-9
PubChem CID5709013
IUPAC Namemethyl (E)-3-thiophen-2-ylprop-2-enoate
Molecular FormulaC8H8O2S
Molecular Weight168.21
XLogP2
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity165
SMILES
COC(=O)/C=C/C1=CC=CS1
InChI
InChI=1S/C8H8O2S/c1-10-8(9)5-4-7-3-2-6-11-7/h2-6H,1H3/b5-4+
InChIKey
HKVOGMDMMCLQFJ-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-(2-thienyl)acrylate
CAS: 20883-96-9
CID: 5709013
Formula: C8H8O2S
MW: 168.21
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight168.21
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass168.02450067
Monoisotopic Mass168.02450067
Topological Polar Surface Area54.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes