3-(2-Methoxy-5-nitrophenyl)propanoic acid

HCID 240441

Notes Reactions

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Basic information

CAS: 6342-73-0
Standard SMILES: COc1ccc([N+](=O)[O-])cc1CCC(=O)O
InChIKey: OBOQOWSWYNLBFP-UHFFFAOYSA-N
Molecular formula: C10H11NO5
Average molar mass: 225.2 g/mol
Monoisotopic mass: 225.06372245

Names & identifiers

Preferred name: 3-(2-Methoxy-5-nitrophenyl)propanoic acid
IUPAC: 3-(2-methoxy-5-nitrophenyl)propanoic acid

Names & synonyms

3-(2-methoxy-5-nitrophenyl)propanoic acid6342-73-0NSC 46642NSC46642SCHEMBL6922213DTXSID60286601OBOQOWSWYNLBFP-UHFFFAOYSA-NNSC-46642AKOS0060323483-(2-methoxy-5-nitrophenyl)propionic acidDS-0045323-(2-methoxy-5-nitro-phenyl)propanoic acid

Show more names

EN300-1857569

Database identifiers

CAS: 6342-73-0
PubChem CID: 240441
DTXSID: DTXSID60286601

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 92.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 262

Related reactions

2 records

New reaction record

HRID 1057989As reactantuspto-grants-2003_02

HRID 1121243As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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