Ethyl (S)-(+)-Mandelate - CAS 13704-09-1
Catalog: |
BB008498 |
Product Name: |
Ethyl (S)-(+)-Mandelate |
CAS: |
13704-09-1 |
Synonyms: |
(2S)-2-hydroxy-2-phenylacetic acid ethyl ester; ethyl (2S)-2-hydroxy-2-phenylacetate |
IUPAC Name: | ethyl (2S)-2-hydroxy-2-phenylacetate |
Description: | Ethyl (S)-(+)-Mandelate (CAS# 13704-09-1) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CCOC(=O)C(C1=CC=CC=C1)O |
InChI: | InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/t9-/m0/s1 |
InChI Key: | SAXHIDRUJXPDOD-VIFPVBQESA-N |
Boiling Point: | 106-107 °C / 4 mmHg (lit.) |
Density: | 1.147 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00064249 |
LogP: | 1.28310 |
Publication Number | Title | Priority Date |
CN-111433577-B | Temperature detection label and article management device using same | 20180122 |
EP-3615084-A1 | Membrane active molecules | 20170424 |
US-2018303821-A1 | Membrane active molecules | 20170424 |
WO-2018200412-A1 | Membrane active molecules | 20170424 |
US-2020375958-A1 | Membrane active molecules | 20170424 |
PMID | Publication Date | Title | Journal |
16749794 | 20060609 | Synthesis and configurational assignment of the amino alcohol in the eastern fragment of the GE2270 antibiotics by regio- and stereoselective addition of 2-metalated 4-bromothiazoles to alpha-chiral electrophiles | The Journal of organic chemistry |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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