Basic information
- CAS
6108-58-3- Standard SMILES
COC(=O)/C=C\CCC(=O)OC- InChIKey
QPFMISCWBTXLFC-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- dimethyl (Z)-hex-2-enedioate
- IUPAC
- dimethyl (Z)-hex-2-enedioate
- English name
- Hex-2-enedioic acid dimethyl ester
- Molecular formula
- C8H12O4
- Molecular weight
- 172.18
Names & synonyms
2-Hexenedioic acid, dimethyl ester, (Z)-dimethyl (Z)-hex-2-enedioate6108-58-3NSC69192SCHEMBL28152408Dimethyl (2Z)-2-hexenedioate #QPFMISCWBTXLFC-HYXAFXHYSA-NNSC-69192Hex-2-enedioic acid dimethyl ester2-Hexenedioic acid, 1,6-dimethyl ester2-Hexenedioic acid, 1,6-dimethyl ester: HEX-2-ENEDIOIC ACID DIMETHYL ESTER
Database identifiers
- CAS
6108-58-3- PubChem CID
- 5357014
- Nikkaji
- J1.938.356C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 204.3 · 204.3±23.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers2 total
赛纳斯特化学（欢迎点击联系）021-60343070
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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