Basic information
- Standard SMILES
O=C(O)c1ccc(N2CCC3(CC2)OCCO3)cc1- InChIKey
BTCNFJZSKWWUNG-UHFFFAOYSA-N- Molecular formula
- C14H17NO4
- Average molar mass
- 263.29 g/mol
Names & identifiers
- Preferred name
- 4-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-benzoic acid
- IUPAC
- 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzoic acid
Names & synonyms
SCHEMBL1663834BTCNFJZSKWWUNG-UHFFFAOYSA-NAKOS0175519504-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-benzoic acid
Database identifiers
- PubChem CID
- 15948425
- Nikkaji
- J2.357.412H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Related reactions
14 records
Compound notes
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