1,2,3,4-Tetrahydro-1-naphthoic Acid - CAS 1914-65-4

Catalog:	BB014815
Product Name:	1,2,3,4-Tetrahydro-1-naphthoic Acid
CAS:	1914-65-4
Synonyms:	1,2,3,4-tetrahydronaphthalene-1-carboxylic acid; 1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Description:	Reagent used to produce protease 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)
InChI Key:	VDLWTJCSPSUGOA-UHFFFAOYSA-N
Boiling Point:	342.653 ℃ at 760 mmHg
Density:	1.186 g/cm³
MDL:	MFCD02179127
LogP:	2.19110

Publication Number	Title	Priority Date
CN-113061098-A	Amide compound and derivative thereof, preparation method, pharmaceutical composition and application	20210118
CN-111620777-A	Resolution method of (S) -1,2,3, 4-tetrahydro-1-naphthoic acid	20200610
CN-111499644-A	Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof	20200424
CN-111499644-B	Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof	20200424
WO-2021204930-A1	Substituted condensed azines as anthelmintic compounds	20200409

PMID	Publication Date	Title	Journal
22939696	20121001	Phenethyl nicotinamides, a novel class of Na(V)1.7 channel blockers: structure and activity relationship	Bioorganic & medicinal chemistry letters
22832315	20120901	Structure and activity relationship in the (S)-N-chroman-3-ylcarboxamide series of voltage-gated sodium channel blockers	Bioorganic & medicinal chemistry letters
14750740	20040115	Combined application of stable carbon isotope analysis and specific metabolites determination for assessing in situ degradation of aromatic hydrocarbons in a tar oil-contaminated aquifer	Environmental science & technology

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GHS Hazard Statement:	H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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:	2.4