1,4-Diamino-9,10-dioxoanthracene-2-carboxylic acid

HCID 3358745

Completing data — usually done within a minute

Basic information

CAS
4095-89-0
Standard SMILES
Nc1cc(C(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O
InChIKey
DNIHCFWMWZCKCQ-UHFFFAOYSA-N
Molecular formula
C15H10N2O4
Average molar mass
282.25 g/mol
Monoisotopic mass
282.0640568

Names & identifiers

Preferred name
1,4-Diamino-9,10-dioxoanthracene-2-carboxylic acid
IUPAC
1,4-diamino-9,10-dioxoanthracene-2-carboxylic acid

Names & synonyms

MLS000774884SMR000365576SR-010007609341,4-diamino-9,10-dioxoanthracene-2-carboxylic acid4095-89-0SCHEMBL2257829CHEMBL1583838BDBM50619cid_3358745DTXSID00391763DNIHCFWMWZCKCQ-UHFFFAOYSA-NREGID_for_CID_3358745
Show more names
HMS2748D19AKOS0010305531,4-diaminoanthraquinone-2-carboxylic acid1,4-diamino-9,10-dioxo-2-anthracenecarboxylic acidSR-01000760934-2SR-01000760934-31,4-diamino-9,10-diketo-anthracene-2-carboxylic acid1,4-diamino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

Database identifiers

CAS
4095-89-0
PubChem CID
3358745
DTXSID
DTXSID00391763
ChEMBL
CHEMBL1583838

Properties

Computed structural propertiesFilling in

XLogP
2.1
Topological polar surface area
123 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
21

Related reactions

3 records

Compound notes

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