Methyl 1-(Hydroxymethyl)cyclohexanecarboxylate - CAS 104654-66-2
Catalog: |
BB001445 |
Product Name: |
Methyl 1-(Hydroxymethyl)cyclohexanecarboxylate |
CAS: |
104654-66-2 |
Synonyms: |
1-(hydroxymethyl)-1-cyclohexanecarboxylic acid methyl ester; methyl 1-(hydroxymethyl)cyclohexane-1-carboxylate |
IUPAC Name: | methyl 1-(hydroxymethyl)cyclohexane-1-carboxylate |
Description: | Methyl 1-(Hydroxymethyl)cyclohexanecarboxylate (CAS# 104654-66-2 ) is a useful research chemical. |
Molecular Weight: | 172.22 |
Molecular Formula: | C9H16O3 |
Canonical SMILES: | COC(=O)C1(CCCCC1)CO |
InChI: | InChI=1S/C9H16O3/c1-12-8(11)9(7-10)5-3-2-4-6-9/h10H,2-7H2,1H3 |
InChI Key: | MQCJOSOCKDEXMV-UHFFFAOYSA-N |
LogP: | 1.10220 |
Publication Number | Title | Priority Date |
JP-2018502144-A | Antifibrinolytic compound | 20141103 |
US-10202331-B2 | Antifibrinolytic compounds | 20141103 |
US-2017334834-A1 | Antifibrinolytic compounds | 20141103 |
US-2020039921-A1 | Antifibrinolytic compounds | 20141103 |
EP-2706852-A1 | Bipyridylaminopyridines as syk inhibitors | 20110510 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.109944368 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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