1076-99-9

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1076-99-9 Structure

Identification	Back Directory
[Name] 4-ALLYL-BENZOIC ACID
[CAS] 1076-99-9
[Synonyms] 4-ALLYL-BENZOIC ACID 4-prop-2-enylbenzoic acid 4-(2-PROPENYL)BENZOIC ACID 4-(2-Propen-1-yl)benzoic acid Benzoic acid, 4-(2-propen-1-yl)-
[Molecular Formula] C10H10O2
[MDL Number] MFCD02259925
[MOL File] 1076-99-9.mol
[Molecular Weight] 162.19

Chemical Properties	Back Directory
[Melting point ] 104-105 °C
[Boiling point ] 286.9±19.0 °C(Predicted)
[density ] 1.108±0.06 g/cm3(Predicted)
[form ] solid
[pka] 4.34±0.10(Predicted)
[InChI] 1S/C10H10O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2,4-7H,1,3H2,(H,11,12)
[InChIKey] YBCFIVNTXHMQGZ-UHFFFAOYSA-N
[SMILES] OC(=O)c1ccc(CC=C)cc1

Safety Data	Back Directory
[Hazard Codes ] Xn
[Risk Statements ] 22
[WGK Germany ] WGK 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

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