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Home >> Chemical Listing >> Page 402 >> (2E,4E)-5-(1,3-Benzodioxol-5-Yl)Penta-2,4-Dienoic Acid

(2E,4E)-5-(1,3-Benzodioxol-5-Yl)Penta-2,4-Dienoic Acid
[CAS# 136-72-1]

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Identification
Name (2E,4E)-5-(1,3-Benzodioxol-5-Yl)Penta-2,4-Dienoic Acid
Synonyms 5-(1,3-Benzodioxol-5-Yl)Penta-2,4-Dienoic Acid; Nci129538; 2,4-Pentadienoic Acid, 5-(1,3-Benzodioxol-5-Yl)- (9Ci)
Molecular Structure CAS#: 136-72-1, (2E,4E)-5-(1,3-Benzodioxol-5-Yl)Penta-2,4-Dienoic Acid
Molecular Formula C12H10O4
Molecular Weight 218.21
CAS Registry Number 136-72-1 (5285-18-7)
SMILES C1=C(\C=C\C=C\C(O)=O)C=CC2=C1OCO2
InChI 1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1+,4-2+
InChIKey RHBGITBPARBDPH-ZPUQHVIOSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Boiling point 427.9±24.0°C at 760 mmHg (Cal.)
Flash point 171.5±16.4°C (Cal.)
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