(S)-1,2,3,4-Tetrahydro-1-naphthoic Acid - CAS 85977-52-2
Catalog: |
BB037789 |
Product Name: |
(S)-1,2,3,4-Tetrahydro-1-naphthoic Acid |
CAS: |
85977-52-2 |
Synonyms: |
(1S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid; (1S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid |
IUPAC Name: | (1S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid |
Description: | Intermediate in the preparation of Dipeptidyl Boronate Proteasome Inhibitors. |
Molecular Weight: | 176.21 |
Molecular Formula: | C11H12O2 |
Canonical SMILES: | C1CC(C2=CC=CC=C2C1)C(=O)O |
InChI: | InChI=1S/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,12,13)/t10-/m0/s1 |
InChI Key: | VDLWTJCSPSUGOA-JTQLQIEISA-N |
Boiling Point: | 342.7 °C at 760 mmHg |
Purity: | ≥ 98 %, ≥ 95 % e.e. |
Density: | 1.186 g/cm3 |
Appearance: | White or pale yellow needle-like crystal |
MDL: | MFCD07368365 |
LogP: | 2.19110 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111620777-A | Resolution method of (S) -1,2,3, 4-tetrahydro-1-naphthoic acid | 20200610 |
US-2021094933-A1 | Rapafucin derivative compounds and methods of use thereof | 20191001 |
CN-109553633-A | A kind of preparation method of phenylacetic acid type aryne | 20181027 |
CN-109553633-B | Preparation method of phenylacetic acid type aryne | 20181027 |
EP-3578561-A1 | Spiro compounds | 20180604 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.083729621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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