3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylic acid
Properties
- Molecular formula
- C11H7NO4
- Molar mass
- 217.18 g/mol
- Exact mass
- 217.0375 Da
- logP
- 1.41Crippen estimate
- Polar surface area
- 79.5 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
49711-55-9SMILES
C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C(=O)OInChIKey
LJKHUTHWDPAAIA-FPYGCLRLSA-NInChI
InChI=1S/C11H7NO4/c12-5-8(11(13)14)3-7-1-2-9-10(4-7)16-6-15-9/h1-4H,6H2,(H,13,14)/b8-3+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-Benzo(1,3)dioxol-5-YL-2-cyano-acrylic acid
Work with 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylic acid
Similar compounds
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2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid54673-07-355 % similar
3′,4′-Methylenedioxycinnamic acid2373-80-049 % similar
Knk-437218924-25-544 % similar
Piperonal120-57-044 % similar
Heliotropyl acetone3160-37-043 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.