Methyl 1-cyclohexene-1-carboxylate - CAS 18448-47-0
Catalog: |
BB014141 |
Product Name: |
Methyl 1-cyclohexene-1-carboxylate |
CAS: |
18448-47-0 |
Synonyms: |
methyl cyclohexene-1-carboxylate |
IUPAC Name: | methyl cyclohexene-1-carboxylate |
Description: | Methyl 1-cyclohexene-1-carboxylate (CAS# 18448-47-0) is a useful research chemical. |
Molecular Weight: | 140.18 |
Molecular Formula: | C8H12O2 |
Canonical SMILES: | COC(=O)C1=CCCCC1 |
InChI: | InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3 |
InChI Key: | KXPWRCPEMHIZGU-UHFFFAOYSA-N |
Boiling Point: | 190-192 °C |
Purity: | 95 % |
Density: | 1.028 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00001544 |
LogP: | 1.65980 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112813131-A | Carboxylesterase and application thereof in producing cyclohexenecarboxylic acid by kinetic resolution of cyclohexenecarboxylate | 20210218 |
CN-110272839-A | One plant of acinetobacter calcoaceticus and its application in production chirality 3- cyclohexene -1- formic acid | 20190508 |
CN-110272839-B | Acinetobacter and application thereof in production of chiral 3-cyclohexene-1-formic acid | 20190508 |
WO-2020224232-A1 | Acinetobacter and use thereof in production of chiral 3-cyclohexene-1-formic acid | 20190508 |
US-2021230566-A1 | Acinetobacter and use thereof in production of chiral 3-cyclohexene-1-carboxylic acid | 20190508 |
PMID | Publication Date | Title | Journal |
22711296 | 20120709 | Achieving regio- and enantioselectivity of P450-catalyzed oxidative CH activation of small functionalized molecules by structure-guided directed evolution | Chembiochem : a European journal of chemical biology |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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