Xanthene-2-acetic acid, 9-oxo-
Basic information
- CAS
30087-31-1- Standard SMILES
O=C(O)Cc1ccc2oc3ccccc3c(=O)c2c1- InChIKey
MVECANJXWFSQQF-UHFFFAOYSA-N- Molecular formula
- C15H10O4
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.0579088
Names & identifiers
- Preferred name
- Xanthene-2-acetic acid, 9-oxo-
- IUPAC
- 2-(9-oxoxanthen-2-yl)acetic acid
Names & synonyms
Xanthene-2-acetic acid, 9-oxo-9-Oxoxanthene-2-acetic acid30087-31-1BRN 5957482DTXSID20184174RefChem:388448DTXCID301066652-(9-OXO-9H-XANTHEN-2-YL)ACETIC ACID9-Oxo-9H-xanthene-2-acetic acidSCHEMBL8642144CHEMBL4167319SCHEMBL37145775
Show more names
MVECANJXWFSQQF-UHFFFAOYSA-N(9-Oxo-9H-xanthen-2-yl)acetic acid
Database identifiers
- CAS
30087-31-1- PubChem CID
- 207478
- DTXSID
DTXSID20184174- ChEMBL
CHEMBL4167319- Nikkaji
- J2.297.634F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 378
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Related reactions
1 records
Compound notes
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