2,3-Dimethoxy-1,3-butadiene - CAS 3588-31-6
Catalog: |
BB022790 |
Product Name: |
2,3-Dimethoxy-1,3-butadiene |
CAS: |
3588-31-6 |
Synonyms: |
2,3-dimethoxybuta-1,3-diene |
IUPAC Name: | 2,3-dimethoxybuta-1,3-diene |
Description: | 2,3-Dimethoxy-1,3-butadiene (CAS# 3588-31-6 ) is a useful research chemical. |
Molecular Weight: | 114.14 |
Molecular Formula: | C6H10O2 |
Canonical SMILES: | COC(=C)C(=C)OC |
InChI: | InChI=1S/C6H10O2/c1-5(7-3)6(2)8-4/h1-2H2,3-4H3 |
InChI Key: | NHBDKDZHQKQPTF-UHFFFAOYSA-N |
Boiling Point: | 134-136 °C (745 mmHg) |
Melting Point: | 19 °C |
Purity: | 95 % |
Density: | 0.94 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00010229 |
LogP: | 1.30660 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22404165 | 20120417 | Chemistry at the Dirac point: Diels-Alder reactivity of graphene | Accounts of chemical research |
14629145 | 20031128 | 3-nitrocoumarins as dienophiles in the Diels-Alder reaction in water. An approach to the synthesis of nitrotetrahydrobenzo[c]chromenones and dihydrodibenzo[b,d]furans | The Journal of organic chemistry |
12558393 | 20030207 | First general approach to cyclohex-3-ene-1,1-bis(phosphonates) by Diels-Alder cycloaddition of tetraethyl vinylidenebis(phosphonate) to 1,3-dienes | The Journal of organic chemistry |
Complexity: | 91.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.068079557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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