2-Acetylanthracene - CAS 10210-32-9

Catalog:	BB000779
Product Name:	2-Acetylanthracene
CAS:	10210-32-9
Synonyms:	1-anthracen-2-ylethanone

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Computed Properties

IUPAC Name:	1-anthracen-2-ylethanone
Description:	2-Acetylanthracene (CAS# 10210-32-9) is an organic fluorophore.
Molecular Weight:	220.27
Molecular Formula:	C16H12O
Canonical SMILES:	CC(=O)C1=CC2=CC3=CC=CC=C3C=C2C=C1
InChI:	InChI=1S/C16H12O/c1-11(17)12-6-7-15-9-13-4-2-3-5-14(13)10-16(15)8-12/h2-10H,1H3
InChI Key:	DQFWGPPCMONVDS-UHFFFAOYSA-N
Boiling Point:	405.9 °C at 760 mmHg
Melting Point:	189-192 °C
Purity:	98 %
Density:	1.164 g/cm³
Appearance:	Yellow powder
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00156727
LogP:	4.19560

Publication Number	Title	Priority Date
WO-2021005619-A1	Improved, cost effective process for synthesis of vitamin d3 and its analogue calcifediol from ergosterol	20190709
CN-108997329-B	Polysubstituted 3- (3-benzo [ b ] selenophenyl) -1H-2-aryl indole and derivative and synthesis method thereof	20180825
US-10018911-B2	Chemically amplified resist material and resist pattern-forming method	20151109
JP-WO2017065219-A1	Phenacene compound, method for producing phenacene compound, and organic light-emitting device	20151016
KR-102110059-B1	Phenacene compound, manufacturing method of phenacene compound, and organic light emitting device	20151016

PMID	Publication Date	Title	Journal
20532298	20100821	Which strategy for molecular probe design? An answer from the integration of spectroscopy and QM modeling	Physical chemistry chemical physics : PCCP

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Complexity:	296
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.088815002
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.088815002
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4