(2E)-12-Hydroxydodec-2-enoic acid - CAS 13038-05-6
Catalog: |
BB053968 |
Product Name: |
(2E)-12-Hydroxydodec-2-enoic acid |
CAS: |
13038-05-6 |
Synonyms: |
2-Dodecenoic acid, 12-hydroxy-, (2E)-; (2E)-12-Hydroxy-2-dodecenoic acid |
IUPAC Name: | (E)-12-hydroxydodec-2-enoic acid |
Molecular Weight: | 214.30 |
Molecular Formula: | C12H22O3 |
Canonical SMILES: | C(CCCCC=CC(=O)O)CCCCO |
InChI: | InChI=1S/C12H22O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h8,10,13H,1-7,9,11H2,(H,14,15)/b10-8+ |
InChI Key: | RILFOORPZLBCJK-CSKARUKUSA-N |
Boiling Point: | 365.9±15.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.0±0.1 g/cm3 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 214.15689456 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.15689456 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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