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(E) -3- (2-Thiazolyl) acrylic Acid

CAT: 0127-OR1036005-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1036005-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144163-52-0
Purity
98%
Smiles
OC(=O)C=CC1=NC=CS1

Chemical Information

(2E)-3-(1,3-thiazol-2-yl)prop-2-enoic acid
CAS Number144163-52-0
PubChem CID14338576
IUPAC Name(E)-3-(1,3-thiazol-2-yl)prop-2-enoic acid
Molecular FormulaC6H5NO2S
Molecular Weight155.18
XLogP0.9
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity158
SMILES
C1=CSC(=N1)/C=C/C(=O)O
InChI
InChI=1S/C6H5NO2S/c8-6(9)2-1-5-7-3-4-10-5/h1-4H,(H,8,9)/b2-1+
InChIKey
PIWFCOHMNRSNNY-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of (2E)-3-(1,3-thiazol-2-yl)prop-2-enoic acid
CAS: 144163-52-0
CID: 14338576
Formula: C6H5NO2S
MW: 155.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.18
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass155.00409958
Monoisotopic Mass155.00409958
Topological Polar Surface Area78.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity158
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

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