Basic information
- CAS
1000896-01-4- Standard SMILES
COC(=O)/C=C/c1cncc(OC)c1- InChIKey
WRAKFCLGWVROJC-ONEGZZNKSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- Methyl 3-(5-methoxypyridin-3-yl)acrylate
- IUPAC
- methyl (E)-3-(5-methoxy-3-pyridinyl)prop-2-enoate
- English name
- Methyl 3-(5-methoxypyridin-3-yl)acrylate
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
Methyl 3-(5-methoxypyridin-3-yl)acrylate1000896-01-4(E)-Methyl 3-(5-methoxypyridin-3-yl)acrylate1233560-96-7methyl (E)-3-(5-methoxypyridin-3-yl)prop-2-enoatemethyl (2E)-3-(5-methoxypyridin-3-yl)prop-2-enoateMFCD11857667SCHEMBL3930342DTXSID80673852WRAKFCLGWVROJC-ONEGZZNKSA-NAKOS006345055AKOS023502143
Show more names
Methyl 3-(5-methoxy-3-pyridinyl)-2-propenoate
AS-68252CS-0080846(E)-Methyl3-(5-methoxypyridin-3-yl)acrylateW11684methyl (E)-3-(5-methoxy-3-pyridyl)prop-2-enoateMethyl 3-(5-methoxypyridin-3-yl)acrylate, AldrichCPR2-Propenoic acid, 3-(5-methoxy-3-pyridinyl)-, methyl ester
Database identifiers
- CAS
1000896-01-4- PubChem CID
- 46736765
- DTXSID
DTXSID80673852
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 316.2 · 316.2±27.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- pka
- 3.55 · 3.55±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Aladdin Scientific[email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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