Methyl 3-Oxocyclohexanecarboxylate - CAS 13148-83-9
Catalog: |
BB007422 |
Product Name: |
Methyl 3-Oxocyclohexanecarboxylate |
CAS: |
13148-83-9 |
Synonyms: |
3-oxo-1-cyclohexanecarboxylic acid methyl ester; methyl 3-oxocyclohexane-1-carboxylate |
IUPAC Name: | methyl 3-oxocyclohexane-1-carboxylate |
Description: | Methyl 3-Oxocyclohexanecarboxylate (CAS# 13148-83-9) is a useful research chemical. |
Molecular Weight: | 156.18 |
Molecular Formula: | C8H12O3 |
Canonical SMILES: | COC(=O)C1CCCC(=O)C1 |
InChI: | InChI=1S/C8H12O3/c1-11-8(10)6-3-2-4-7(9)5-6/h6H,2-5H2,1H3 |
InChI Key: | MAEFSJWFUPHVPY-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD09031996 |
LogP: | 0.91870 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019214610-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180508 |
AU-2019266729-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of HBV infection or of HBV-induced diseases | 20180508 |
CN-112638883-A | Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases | 20180508 |
EP-3790866-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180508 |
KR-20210006412-A | Dihydropyrimidine derivatives and their use in the treatment of HBV infections or HBV-induced diseases | 20180508 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.078644241 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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