Basic information
- CAS
1278963-15-7- Standard SMILES
O=C(O)C=CC1CCOCC1- InChIKey
DPGYZWXDYCAFNI-UHFFFAOYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- 3-(Tetrahydro-2H-pyran-4-yl)acrylic acid
- IUPAC
- 3-(oxan-4-yl)prop-2-enoic acid
- English name
- (E)-3-(tetrahydro-2H-pyran-4-yl)acrylic acid
- Molecular formula
- C8H12O3
- Molecular weight
- 156.18
Names & synonyms
3-(Tetrahydro-2H-pyran-4-yl)acrylic acidSCHEMBL533890AKOS016042172(E)-3-(tetrahydro-2H-pyran-4-yl)acrylic acidF8889-76313-(oxan-4-yl)prop-2-enoic acid(Z)-3-tetrahydropyran-4-ylprop-2-enoic acid2-Propenoic acid, 3-(tetrahydro-2H-pyran-4-yl)-
Database identifiers
- CAS
1278963-15-7- PubChem CID
- 53772016
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 330.1 · 330.1±17.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
3 records
Compound notes
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