Catalog Number |
ACM2236115 |
CAS |
2236-11-5 |
Structure |
|
IUPAC Name |
methyl 2-hydroxycyclohexane-1-carboxylate |
Synonyms |
Methyl 2-hydroxycyclohexanecarboxylate;2236-11-5;methyl 2-hydroxycyclohexane-1-carboxylate;Cyclohexanecarboxylic acid, 2-hydroxy-, methyl ester;20027-13-8;SCHEMBL262052;METHYL HEXAHYDROSALICYLATE;DTXSID10942023;NSC66571;EINECS 218-797-0;NSC-66571;AKOS006282590;MCULE-5625433366;NE28030;Methyl 2-hydroxycyclohexanecarboxylate #;AS-63728;CS-0109611;2-Hydroxycyclohexanecarboxylic acid methyl ester |
Molecular Weight |
158.19g/mol |
Molecular Formula |
C8H14O3 |
Canonical SMILES |
COC(=O)C1CCCCC1O |
InChI |
InChI=1S/C8H14O3/c1-11-8(10)6-4-2-3-5-7(6)9/h6-7,9H,2-5H2,1H3 |
InChI Key |
IAJQZEQYGUQTQS-UHFFFAOYSA-N |
Complexity |
144 |
Covalently-Bonded Unit Count |
1 |
EC Number |
218-797-0 |
Exact Mass |
158.094294304g/mol |
Heavy Atom Count |
11 |
Hydrogen Bond Acceptor Count |
3 |
Monoisotopic Mass |
158.094294304g/mol |
NSC Number |
66571 |
Rotatable Bond Count |
2 |
Topological Polar Surface Area |
46.5Ų |
X Log P3 |
1.4 |