3-Vinylbenzoic Acid
Product Information
Molecular Formula
C9H8O2
Molecular Weight
148.16
Description
3-Vinylbenzoic Acid is widely used in drug synthesis for cancer and inflammatory diseases.
Synonyms
3-VINYLBENZOIC ACID; RARECHEM AL BO 0913; Benzoic acid, 3-ethenyl- (9CI); Benzoic acid, 3-ethenyl-
IUPAC Name
3-ethenylbenzoic acid
SMILES
C=CC1=CC(=CC=C1)C(=O)O
InChI
InChI=1S/C9H8O2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6H,1H2,(H,10,11)
InChI Key
VWXZFDWVWMQRQR-UHFFFAOYSA-N
Melting Point
91-95 °C (lit.)
Flash Point
Not applicable
Purity
0.96
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
XLogP3
2.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
148.052429494 g/mol
Monoisotopic Mass
148.052429494 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
163
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113004569-A | Method for modifying porous membrane, modified porous membrane and application thereof | 2021-02-09 |
| CN-112390921-A | Synthetic viscosity-reducing polycarboxylate superplasticizer and preparation method thereof | 2020-11-05 |
| WO-2022045308-A1 | Compound, method for producing compound, adhesive composition and adhesive tape | 2020-08-28 |
| WO-2022039224-A1 | Coloured resin composition, colour filter, and image display device | 2020-08-20 |
| WO-2022030440-A1 | Vinyl polymers and production method therefor | 2020-08-07 |
| JP-2022030091-A | Manufacturing method of semiconductor device, and expanded tape and its manufacturing method | 2020-08-06 |
| JP-2022030093-A | Manufacturing method of semiconductor devices and expanded tape | 2020-08-06 |
| JP-2022029701-A | Compounds and coloring compositions | 2020-08-05 |
| JP-2022029725-A | Adhesive sheet and adhesive composition | 2020-08-05 |
| JP-2022029023-A | Creation of functional composite fine particles using a gradient type polymer surfactant and a liquid drying method in combination | 2020-08-04 |
