1,2,3,4-Tetrahydro-2-naphthoic acid - CAS 53440-12-3
Catalog: |
BB028217 |
Product Name: |
1,2,3,4-Tetrahydro-2-naphthoic acid |
CAS: |
53440-12-3 |
Synonyms: |
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid |
IUPAC Name: | 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid |
Description: | 1,2,3,4-Tetrahydro-2-naphthoic acid (CAS# 53440-12-3) is used as a reagent in organic synthesis of several compounds including that of N-acyl-5-methyl-3(2H)-isoxazolone derivatives which show high potential as fungicides. |
Molecular Weight: | 176.21 |
Molecular Formula: | C11H12O2 |
Canonical SMILES: | C1CC2=CC=CC=C2CC1C(=O)O |
InChI: | InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H,12,13) |
InChI Key: | NTAGXJQHJQUOOA-UHFFFAOYSA-N |
Boiling Point: | 343.9 °C at 760 mmHg |
Density: | 1.186 g/cm3 |
Appearance: | White to light yellow powder |
MDL: | MFCD00001741 |
LogP: | 1.87610 |
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 |
WO-2020229968-A1 | Non-lysosomal glucosylceramidase inhibitors and uses thereof | 20190510 |
WO-2020118116-A1 | Heterocyclyl polymethine ir chromophores | 20181205 |
WO-2019200120-A1 | Dihydroisoquinoline-2(1h)-carboxamide and related compounds and their use in treating medical conditions | 20180411 |
WO-2019173181-A1 | Alpha-hydroxy phenylacetic acid pharmacophore or bioisostere mcl-1 protein antagonists | 20180305 |
EP-3762393-A1 | Alpha-hydroxy phenylacetic acid pharmacophore or bioisostere mcl-1 protein antagonists | 20180305 |
PMID | Publication Date | Title | Journal |
21459409 | 20110701 | Naphthenic acid biodegradation by the unicellular alga Dunaliella tertiolecta | Chemosphere |
12220410 | 20020901 | Metabolic biomarkers for monitoring anaerobic naphthalene biodegradation in situ | Environmental microbiology |
11823228 | 20020201 | Identical ring cleavage products during anaerobic degradation of naphthalene, 2-methylnaphthalene, and tetralin indicate a new metabolic pathway | Applied and environmental microbiology |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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