9,10-Dioxo-9,10-dihydroanthracene-1-carboxylic Acid - CAS 602-69-7

Name: 9,10-Dioxo-9,10-dihydroanthracene-1-carboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030632
Product Name:	9,10-Dioxo-9,10-dihydroanthracene-1-carboxylic Acid
CAS:	602-69-7
Synonyms:	9,10-dioxo-1-anthracenecarboxylic acid; 9,10-dioxoanthracene-1-carboxylic acid

Technical Data

IUPAC Name:	9,10-dioxoanthracene-1-carboxylic acid
Description:	9,10-Dioxo-9,10-dihydroanthracene-1-carboxylic Acid (CAS# 602-69-7) is a useful research chemical.
Molecular Weight:	252.22
Molecular Formula:	C15H8O4
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)C(=O)O
InChI:	InChI=1S/C15H8O4/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18)19/h1-7H,(H,18,19)
InChI Key:	POPBYCBXVLHSKO-UHFFFAOYSA-N
Boiling Point:	513 °C at 760 mmHg
Density:	1.469 g/cm³
MDL:	MFCD00632343
LogP:	2.16020

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

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PMID	Publication Date	Title	Journal
22142726	20111210	Laccase chloride inhibition reduction by an anthraquinonic substrate	Enzyme and microbial technology
17227036	20070124	Formation of water-dispersible nanotubular graphitic assembly decorated with isothiouronium ion groups and its supramolecular functionalization	Journal of the American Chemical Society

Complexity:	428
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.04225873
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.04225873
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9