4-Vinylbenzoic acid

C₉H₈O₂CAS 1075-49-6148.16 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₉H₈O₂
Molar mass: 148.16 g/mol
Exact mass: 148.0524 Da
Melting point: 143–144 °C
logP: 2.03Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation96.2% of notifiers

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1075-49-6

SMILES

C=Cc1ccc(C(=O)O)cc1

InChIKey

IRQWEODKXLDORP-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Benzoic acid, 4-ethenyl-
Benzoic acid, p-vinyl-
4-Ethenylbenzoic acid
p-Vinylbenzoic acid
4-Carboxystyrene
p-Carboxystyrene
NSC 176003

Work with 4-Vinylbenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4′-(1,2-Ethenediyl)bis[benzoic acid]100-31-267 % similar 4,4'-Stilbenedicarboxylic acid133005-88-667 % similar Terephthalic acid100-21-063 % similar 4-Carboxybenzaldehyde619-66-962 % similar 2-Ethenylbenzene-1,4-dicarboxylic acid216431-29-756 % similar Tetrakis(4-carboxyphenyl)ethylene1351279-73-656 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-456 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dihydrocoumarin119-84-6 5-Methoxybenzofuran13391-28-1 Cinnamic acid140-10-3 3,4-Dihydro-1H-2-benzopyran-4-one20924-56-5 4-Acetylbenzaldehyde3457-45-2 5-Hydroxy-1-indanone3470-49-3 4-Hydroxyindan-1-one40731-98-4 3-Isochromanone4385-35-7

Elsewhere

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