10,10-Dimethylanthrone - CAS 5447-86-9

Name: 10,10-Dimethylanthrone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB046756
Product Name:	10,10-Dimethylanthrone
CAS:	5447-86-9
Synonyms:	10,10-Dimethyl-9,10-dihydroanthracen-9-one; 10,10-Dimethylanthracen-9(10H)-one; 9(10H)-Anthracenone, 10,10-dimethyl-; NSC 17539; 10,10-dimethyl-10h-anthracen-9-one

Technical Data

IUPAC Name:	10,10-dimethylanthracen-9-one
Description:	It is a derivative of Anthrone.
Molecular Weight:	222.28
Molecular Formula:	C16H14O
Canonical SMILES:	CC1(C2=CC=CC=C2C(=O)C3=CC=CC=C31)C
InChI:	InChI=1S/C16H14O/c1-16(2)13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)16/h3-10H,1-2H3
InChI Key:	GWFCYDIAPRIMLA-UHFFFAOYSA-N
Boiling Point:	346.6±22.0 °C (Predicted)
Melting Point:	101-103 °C
Purity:	95 %
Density:	1.105±0.06 g/cm³ (Predicted)
Solubility:	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	Off-white to light yellow solid
Storage:	Refrigerator

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.104465066
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.104465066
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6