5,6,7,8-Tetrahydro-2-naphthoic acid - CAS 1131-63-1

Name: 5,6,7,8-Tetrahydro-2-naphthoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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