6-Acetyl-1,2,3,4-tetrahydronaphthalene - CAS 774-55-0

Catalog:	BB035944
Product Name:	6-Acetyl-1,2,3,4-tetrahydronaphthalene
CAS:	774-55-0
Synonyms:	1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

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Computed Properties

IUPAC Name:	1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
Description:	6-Acetyl-1,2,3,4-tetrahydronaphthalene (CAS# 774-55-0) is a useful research chemical compound.
Molecular Weight:	174.24
Molecular Formula:	C12H14O
Canonical SMILES:	CC(=O)C1=CC2=C(CCCC2)C=C1
InChI:	InChI=1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3
InChI Key:	VEPUKHYQNXSSKV-UHFFFAOYSA-N
Boiling Point:	312.4 °C at 760 mmHg
Density:	1.058 g/cm³
LogP:	2.76800

Publication Number	Title	Priority Date
CN-111936457-A	Enol ether pro-fragrances	20180622
US-2021115354-A1	Enol ether properfume	20180622
WO-2019236562-A1	Fragrance materials	20180604
WO-2019236614-A1	Fragrance and flavor materials	20180604
CN-112368256-A	Perfume and fragrance materials	20180604

PMID	Publication Date	Title	Journal
21512449	20110420	Synthesis and anticancer activity of some novel tetralin-6-yl-pyrazoline, 2-thioxopyrimidine, 2-oxopyridine, 2-thioxo-pyridine and 2-iminopyridine derivatives	Molecules (Basel, Switzerland)
20110135	20100401	Anti-HSV-1 activity and mechanism of action of some new synthesized substituted pyrimidine, thiopyrimidine and thiazolopyrimidine derivatives	European journal of medicinal chemistry
19616348	20091101	New pyridone, thioxopyridine, pyrazolopyridine and pyridine derivatives that modulate inflammatory mediators in stimulated RAW 264.7 murine macrophage	European journal of medicinal chemistry
19645328	20090501	Synthesis and anticancer activity of novel tetralin-6-ylpyridine and tetralin-6-ylpyrimidine derivatives	Acta poloniae pharmaceutica

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Related Functional Groups

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[832741-29-4]
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[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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GHS Hazard Statement:	H302 (72.73%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, P391, and P501
Signal Word:	Warning

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.104465066
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.104465066
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3