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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
- Formal charge
- 0
- Complexity
- 492
Related reactions
3 records
Compound notes
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