Methyl 2-hexynoate - CAS 18937-79-6
Catalog: |
BB014621 |
Product Name: |
Methyl 2-hexynoate |
CAS: |
18937-79-6 |
Synonyms: |
methyl hex-2-ynoate |
IUPAC Name: | methyl hex-2-ynoate |
Description: | Methyl 2-hexynoate (CAS# 18937-79-6 ) is a useful research chemical. |
Molecular Weight: | 126.15 |
Molecular Formula: | C7H10O2 |
Canonical SMILES: | CCCC#CC(=O)OC |
InChI: | InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-4H2,1-2H3 |
InChI Key: | DHZPZBFOJDXEHS-UHFFFAOYSA-N |
Boiling Point: | 64 °C (10 torr) |
Density: | 0.963 g/cm3 |
MDL: | MFCD00041642 |
LogP: | 0.96290 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-105399770-B | A kind of preparation method of rosuvastain calcium intermediate | 20151123 |
US-2018194774-A1 | Fused Tricyclic Heterocyclic Compounds Useful For Treating HIV Infection | 20150525 |
US-2018051043-A1 | Phosphate substituted quinolizine derivatives useful as hiv integrase inhibitors | 20150326 |
US-2016228419-A1 | Substituted quinolizine derivatives useful as hiv integrase inhibitors | 20130927 |
US-2018028509-A1 | Substituted quinolizine derivatives useful as hiv integrase inhibitors | 20130927 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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