6-Methoxy-1-indanone - CAS 13623-25-1

Name: 6-Methoxy-1-indanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008319
Product Name:	6-Methoxy-1-indanone
CAS:	13623-25-1
Synonyms:	6-methoxy-2,3-dihydroinden-1-one

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Computed Properties

IUPAC Name:	6-methoxy-2,3-dihydroinden-1-one
Description:	Indanone derivative as α1-adrenoceptor antagonist.
Molecular Weight:	162.19
Molecular Formula:	C10H10O2
Canonical SMILES:	COC1=CC2=C(CCC2=O)C=C1
InChI:	InChI=1S/C10H10O2/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h2,4,6H,3,5H2,1H3
InChI Key:	UJGDLLGKMWVCPT-UHFFFAOYSA-N
Boiling Point:	291.7 °C at 760 mmHg
Melting Point:	107-111 °C
Purity:	95 %
Density:	1.166 g/cm³
Appearance:	White crystal
MDL:	MFCD00021232
LogP:	1.82410

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112574078-A	2-sulfuryl-2, 3-dihydro-1-indanone and derivatives and synthesis method thereof	20201214
CN-111302991-A	Three-dimensional and large steric hindrance disulfide compound and synthesis method and application thereof	20200317
WO-2021097139-A1	Chiral synthesis of a tertiary alcohol	20191115
WO-2021085321-A1	Resin composition, resin sheet, cured film, method for manufacturing cured film, semiconductor device, organic el display device, and display device	20191029
WO-2021011913-A1	Tau-protein targeting compounds and associated methods of use	20190717

PMID	Publication Date	Title	Journal
21275055	20110207	Synthesis and evaluation of indatraline-based inhibitors for trypanothione reductase	ChemMedChem
12713830	20030515	A study on the conversion of indanones into carbostyrils	Bioorganic & medicinal chemistry
11814803	20020211	Interesting reaction of the indanone oximes under Beckmann rearrangement conditions	Bioorganic & medicinal chemistry letters

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.068079557
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	162.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6