5,6,7,8-Tetrahydro-2-naphthoic acid - CAS 1131-63-1
Catalog: |
BB003133 |
Product Name: |
5,6,7,8-Tetrahydro-2-naphthoic acid |
CAS: |
1131-63-1 |
Synonyms: |
5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
IUPAC Name: | 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
Description: | 5,6,7,8-Tetrahydro-2-naphthoic acid (CAS# 1131-63-1) is a useful research chemical. |
Molecular Weight: | 176.21 |
Molecular Formula: | C11H12O2 |
Canonical SMILES: | C1CCC2=C(C1)C=CC(=C2)C(=O)O |
InChI: | InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13) |
InChI Key: | RSWXAGBBPCRION-UHFFFAOYSA-N |
Boiling Point: | 332.4 °C at 760 mmHg |
Melting Point: | 152-156 °C |
Purity: | 95 % |
Density: | 1.184 g/cm3 |
Appearance: | Solid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD01861899 |
LogP: | 2.26360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
19712381 | 20040701 | Anaerobic degradation of polycyclic aromatic hydrocarbons | FEMS microbiology ecology |
11823228 | 20020201 | Identical ring cleavage products during anaerobic degradation of naphthalene, 2-methylnaphthalene, and tetralin indicate a new metabolic pathway | Applied and environmental microbiology |
11165347 | 20010301 | The use of a solid adsorber resin for enrichment of bacteria with toxic substrates and to identify metabolites: degradation of naphthalene, O-, and m-xylene by sulfate-reducing bacteria | Journal of microbiological methods |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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