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3-Pyridineacrylic Acid

CAT: 0572-TRC-P991285-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P991285-10GSize:10 g
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CAS Number
1126-74-5
Synonyms
3-(3-Pyridyl)-2-propenoic Acid; 3-(3-Pyridyl)acrylic Acid; 3-(3'-Pyridyl)acrylic Acid; 3-(Pyridin-3-yl)acrylic Acid; Pyridyl-3-acrylic Acid; beta-(3-Pyridyl)-acrylic Acid; ω-(3-Pyridyl)acrylic Acid
Hazard Statement
No Data Available
Smiles
OC(=O)\C=C\c1cccnc1
Molecular Formula
C8H7NO2
Molecular Weight
149.15
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-(3-Pyridinyl)-2-propenoic acid
CAS Number1126-74-5
PubChem CID101984
IUPAC Name3-pyridin-3-ylprop-2-enoic acid
Molecular FormulaC8H7NO2
Molecular Weight149.15
XLogP0.8
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity165
SMILES
C1=CC(=CN=C1)C=CC(=O)O
InChI
InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)
InChIKey
VUVORVXMOLQFMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-Pyridinyl)-2-propenoic acid
CAS: 1126-74-5
CID: 101984
Formula: C8H7NO2
MW: 149.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight149.15
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass149.047678466
Monoisotopic Mass149.047678466
Topological Polar Surface Area50.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes