3',6'-Diaminospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one
Basic information
- CAS
509-72-8- Standard SMILES
Nc1ccc2c(c1)Oc1cc(N)ccc1C21OC(=O)c2ccccc21- InChIKey
ACNUVXZPCIABEX-UHFFFAOYSA-N- Molecular formula
- C20H14N2O3
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.10044231
Names & identifiers
- Preferred name
- 3',6'-Diaminospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one
- IUPAC
- 3',6'-diaminospiro[2-benzofuran-3,9'-xanthene]-1-one
Names & synonyms
3',6'-Diaminofluoran509-72-8Fluoran, 3',6'-diamino-35PU6E1AOADTXSID901989253',6'-Diaminospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one3',6'-Diaminospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-oneRefChem:1065396DTXCID501214163',6'-Diamino-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one3',6'-diaminospiro[2-benzofuran-3,9'-xanthene]-1-one3',6'-Fluorandiamine
Show more names
BRN 00453413',6'-Diaminospiro(isobenzofuran-1)UNII-35PU6E1AOArhodamino-(6-Amino-3-imino-3H-xanthen-9-yl) benzoic acidBenzoic acid, o-(b-amino-3-imino-3H-xanthen-9-yl)-starbld0026625RHODAMINE LACTONE
Database identifiers
- CAS
509-72-8- PubChem CID
- 120271
- DTXSID
DTXSID90198925- UNII
- 35PU6E1AOA
- Nikkaji
- J87.102H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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