2-Phenylcyclohexanone - CAS 1444-65-1
Catalog: |
BB009778 |
Product Name: |
2-Phenylcyclohexanone |
CAS: |
1444-65-1 |
Synonyms: |
2-phenylcyclohexan-1-one |
IUPAC Name: | 2-phenylcyclohexan-1-one |
Description: | 2-Phenylcyclohexanone (CAS# 1444-65-1) is a substrate for steroid monooxygenase (STMO) from Rhodococcus rhodochrous DSM 43269. |
Molecular Weight: | 174.24 |
Molecular Formula: | C12H14O |
Canonical SMILES: | C1CCC(=O)C(C1)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H14O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2 |
InChI Key: | DRLVMOAWNVOSPE-UHFFFAOYSA-N |
Boiling Point: | 294 °C at 760 mmHg |
Density: | 1.042 g/cm3 |
Appearance: | White to off-white powder or crystals |
MDL: | MFCD00001629 |
LogP: | 2.91330 |
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PMID | Publication Date | Title | Journal |
21421570 | 20110401 | Strigolactone analogs derived from ketones using a working model for germination stimulants as a blueprint | Plant & cell physiology |
16542025 | 20051007 | Towards practical biocatalytic Baeyer-Villiger reactions: applying a thermostable enzyme in the gram-scale synthesis of optically-active lactones in a two-liquid-phase system | Beilstein journal of organic chemistry |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.104465066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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