5-(4-Nitrophenyl)pentanoic acid
Basic information
- CAS
20492-10-8- Standard SMILES
O=C(O)CCCCc1ccc([N+](=O)[O-])cc1- InChIKey
ICWKCTNMYJHGIU-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- 5-(4-Nitrophenyl)pentanoic acid
- IUPAC
- 5-(4-nitrophenyl)pentanoic acid
- English name
- Benzenepentanoic acid,4-nitro-
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
5-(4-nitrophenyl)pentanoic acid20492-10-8NSC 174016NSC174016Benzenepentanoic acid,4-nitro-SCHEMBL15278065-(4-nitropheny)pentanoic acidDTXSID70306081ICWKCTNMYJHGIU-UHFFFAOYSA-NNSC-174016DS-010181CS-0255018
Show more names
EN300-11691204
Database identifiers
- CAS
20492-10-8- PubChem CID
- 299987
- DTXSID
DTXSID70306081
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 84 · 84-85 °C
- Boiling point
- 175 · 175-180 °C(Press: 0.1 Torr)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- pka
- 4.71 · 4.71±0.10(Predicted)
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Related reactions
1 records
Compound notes
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