9,10-Dioxoanthracene-2-carboxylic acid

PubChem CID: 67030

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Compound Synonyms	Anthraquinone-2-carboxylic acid, 117-78-2, 9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, 2-Carboxyanthraquinone, 9,10-Dioxoanthracene-2-carboxylic acid, 2-Anthraquinonecarboxylic acid, 9,10-Anthraquinone 2-carboxylic acid, 9,10-Dihydro-9,10-dioxo-2-anthracenecarboxylic acid, 2-Anthracenecarboxylic acid, 9,10-dihydro-9,10-dioxo-, 2-Carboxyl-9,10-anthraquinone, Anthraquinone-2-carboxylate, NSC 5001, CHEMBL455581, 2-Anthroic acid, 9,10-dihydro-9,10-dioxo-, .beta.-Anthraquinonecarboxylic acid, NSC-5001, Anthraquinone-.beta.-carboxylic acid, beta-Anthraquinonecarboxylic acid, 9,10-Dioxo-9,10-dihydro-2-anthracenecarboxylic acid, EINECS 204-207-9, MFCD00001231, SCHEMBL123492, 9,10-Dioxo-9,10-dihydroanthracene-2-carboxylicacid, 3WS64LL78M, AQCA-9,10, DTXSID70151659, NSC5001, ALBB-031338, STR02766, BDBM50312647, s9359, STK396684, 9,10-anthraquinone-2-carboxylic acid, AKOS001482342, Anthraquinone-2-carboxylic acid, 98%, CCG-266977, HY-W031757, AC-24478, DB-041384, A0504, CS-0075781, NS00023795, D82129, EN300-234866, AE-641/00185012, SR-01000078364, SR-01000078364-1, Q59196332, 9,1 0-dihydro-9,10-dioxo-2-anthracenecarboxylic acid, F0074-0035, 204-207-9
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	71.4
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1C2CCCCC2C(C)C2CCCCC12
Np Classifier Class	Anthraquinones and anthrones
Deep Smiles	O=Ccccccc6C=O)cc%10cccc6))))))))))C=O)O
Heavy Atom Count	19.0
Classyfire Class	Anthracenes
Scaffold Graph Node Level	OC1C2CCCCC2C(O)C2CCCCC12
Classyfire Subclass	Anthracenecarboxylic acids and derivatives
Isotope Atom Count	0.0
Molecular Complexity	428.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	Q9Y3R4
Iupac Name	9,10-dioxoanthracene-2-carboxylic acid
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Benzenoids
Target Id	NPT1338
Xlogp	3.0
Gsk 4 400 Rule	True
Molecular Formula	C15H8O4
Scaffold Graph Node Bond Level	O=C1c2ccccc2C(=O)c2ccccc21
Prediction Swissadme	0.0
Inchi Key	ASDLSKCKYGVMAI-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.0
Logs	-3.607
Rotatable Bond Count	1.0
Logd	2.318
Synonyms	anthraquinone-2-carboxylic acid
Esol Class	Moderately soluble
Functional Groups	cC(=O)O, cC(c)=O
Compound Name	9,10-Dioxoanthracene-2-carboxylic acid
Prediction Hob Swissadme	0.0
Exact Mass	252.042
Formal Charge	0.0
Monoisotopic Mass	252.042
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	252.22
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-4.022763421052631
Inchi	InChI=1S/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19)
Smiles	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
Nring	3.0
Np Classifier Biosynthetic Pathway	Polyketides
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Polycyclic aromatic polyketides

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9,10-Dioxoanthracene-2-carboxylic acid

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Phytochemical Properties

Associated Connections 112

Plant Connections 112