Methyl Cycloheptanecarboxylate - CAS 60433-00-3
Catalog: |
BB030686 |
Product Name: |
Methyl Cycloheptanecarboxylate |
CAS: |
60433-00-3 |
Synonyms: |
cycloheptanecarboxylic acid methyl ester; methyl cycloheptanecarboxylate |
IUPAC Name: | methyl cycloheptanecarboxylate |
Description: | Methyl Cycloheptanecarboxylate (CAS# 60433-00-3) is a useful research chemical. |
Molecular Weight: | 156.22 |
Molecular Formula: | C9H16O2 |
Canonical SMILES: | COC(=O)C1CCCCCC1 |
InChI: | InChI=1S/C9H16O2/c1-11-9(10)8-6-4-2-3-5-7-8/h8H,2-7H2,1H3 |
InChI Key: | OEPSYCOSYPDSFV-UHFFFAOYSA-N |
LogP: | 2.12980 |
Publication Number | Title | Priority Date |
US-2021107904-A1 | 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use | 20181130 |
CN-112702998-A | Cycloheptanoic acids as LPA antagonists | 20180918 |
WO-2018210828-A1 | Organic compounds | 20170515 |
JP-2015107923-A | Method for producing cycloaliphatic acrylates | 20131203 |
JP-6154737-B2 | Method for producing cycloaliphatic acrylates | 20131203 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.115029749 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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