cis-α,β-Dimethylacrylic acid
Properties
- Molecular formula
- C5H8O2
- Molar mass
- 100.12 g/mol
- Exact mass
- 100.0524 Da
- Density
- 9.9298 g/mL (at 99.6001 °C)
- Melting point
- 45.5 °C
- Boiling point
- 185 °C
- logP
- 1.04Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
- Double bonds
- ZE/Z, in SMILES order
Hazards
Danger
- H290 May be corrosive to metals100% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501
Identifiers
CAS number
565-63-9SMILES
C/C=C(/C)C(=O)OInChIKey
UIERETOOQGIECD-ARJAWSKDSA-NInChI
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 2,3-Dimethylacrylic acid, (Z)-
- Angelic acid
- 2-Butenoic acid, 2-methyl-, (2Z)-
- Crotonic acid, 2-methyl-, (Z)-
- 2-Butenoic acid, 2-methyl-, (Z)-
- (2Z)-2-Methyl-2-butenoic acid
- cis-2-Methyl-2-butenoic acid
- (Z)-2-Methylbut-2-enoic acid
- (Z)-2-Methylbutenoic acid
Work with cis-α,β-Dimethylacrylic 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Citraconic acid498-23-754 % similar
Mesaconic acid498-24-854 % similar
(E)-2-Methyl-2-pentenoic acid16957-70-352 % similar
2-Methylpent-2-en-1-oic acid3142-72-152 % similar
3-Methyl-3-penten-2-one565-62-850 % similar
Methyl tiglate6622-76-048 % similar
Angelic anhydride94487-74-846 % similar
α-Methylcinnamic acid1199-77-545 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds