Benzoic acid, 3-azido-4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (E)-
Basic information
- CAS
131206-61-6- Standard SMILES
C/C(=C\c1ccc(C(=O)O)cc1N=[N+]=[N-])c1ccc2c(c1)C(C)(C)CCC2(C)C- InChIKey
BFJIRSSLRJYNHN-NTCAYCPXSA-N- Molecular formula
- C24H27N3O2
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.21032711
Overview
structure given in first source
Names & identifiers
- Preferred name
- Benzoic acid, 3-azido-4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (E)-
- IUPAC
- 3-azido-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
- English name
- 3-azido-4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propen-1-yl)benzoic acid
- Molecular formula
- C24H27N3O2
- Molecular weight
- 389.49
Names & synonyms
3-Attnpb131206-61-63-Azido-4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propen-1-yl)benzoic acidDTXSID901113089Benzoic acid, 3-azido-4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (E)-Benzoic acid, 3-azido-4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl]-, (E)-RefChem:93027DTXCID3015446883-azido-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid3-Azido-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
Database identifiers
- CAS
131206-61-6- PubChem CID
- 6449862
- DTXSID
DTXSID901113089
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 705
Physicochemical properties
- pka
- 3.908 · 3.908±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…