2-Anthracenecarboxylic acid, 1-amino-9,10-dihydro-9,10-dioxo-

HCID 6701CAS 82-24-6

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Basic information

Standard SMILES: Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1C2=O
InChIKey: MMKNBFSDCOALQO-UHFFFAOYSA-N
Molecular formula: C15H9NO4
Average molar mass: 267.24 g/mol
Monoisotopic mass: 267.05315777

Names & identifiers

Preferred name: 2-Anthracenecarboxylic acid, 1-amino-9,10-dihydro-9,10-dioxo-
IUPAC: 1-amino-9,10-dioxoanthracene-2-carboxylic acid
English name: 1-amino-9,10-dihydro-9,10-dioxo-2-anthracenecarboxylicaci
Molecular formula: C15H9NO4
Molecular weight: 267.24

Names & synonyms

2-Anthracenecarboxylic acid, 1-amino-9,10-dihydro-9,10-dioxo-DTXSID9058866RefChem:465253DTXCID704824382-24-61-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid1-AMINOANTHRAQUINONE-2-CARBOXYLIC ACID1-amino-9,10-dioxoanthracene-2-carboxylic acid1-Amino-2-carboxyanthraquinone2-Anthraquinonecarboxylic acid, 1-amino-1-Amino-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid1-Amino-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid

Show more names

1-amino-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylicacid1-Amino-9,10-dihydro-9,10-dioxo-2-anthracenecarboxylic acidSKL381Nsc90261-amino-9,10-dioxo-2-anthracenecarboxylate2-Anthroic acid, 1-amino-9,10-dihydro-9,10-dioxo-9,10-dihydro-1-amino-9,10-dioxo-2-anthracenecarboxylicaci

MLS000713412413N4ED0PFNSC-9026NSC-39940SMR0002728931-amino-9,10-dioxo-anthracene-2-carboxylic acidF0433-0500EINECS 201-406-2

Database identifiers

CAS: 82-24-6
PubChem CID: 6701
DTXSID: DTXSID9058866
ChEMBL: CHEMBL1565911
UNII: 413N4ED0PF
EC Number: 201-406-2
Nikkaji: J52.254F

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 97.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 461

Physicochemical properties

Melting point: 291 °C · 291°C
Boiling point: 410.42 °C · 410.42°C (rough estimate)
Density: 1.2671 · 1.2671 (rough estimate)
refractive index: 1.6231 · 1.6231 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 4.19 · 4.19±0.20(Predicted)
FDA UNII: 413 N4ED0PF · 413N4ED0PF
EPA Substance Registry System: 2 · 2-Anthracenecarboxylic acid, 1-amino-9,10-dihydro-9,10-dioxo- (82-24-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
TSCA: TSCA listed

Safety & regulation

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501