({[(4-Nitrophenyl)methoxy]carbonyl}oxy)acetic acid

HCID 20140862

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 89753-85-5
Standard SMILES: O=C(O)COC(=O)OCc1ccc([N+](=O)[O-])cc1
InChIKey: GGHAOSLSOCDKQF-UHFFFAOYSA-N
Molecular formula: C10H9NO7
Average molar mass: 255.18 g/mol
Monoisotopic mass: 255.03790163

Names & identifiers

Preferred name: ({[(4-Nitrophenyl)methoxy]carbonyl}oxy)acetic acid
IUPAC: 2-[(4-nitrophenyl)methoxycarbonyloxy]acetic acid

Names & synonyms

89753-85-5({[(4-Nitrophenyl)methoxy]carbonyl}oxy)acetic acidSCHEMBL10639376DTXSID90602911GGHAOSLSOCDKQF-UHFFFAOYSA-Np-nitrobenzyloxycarbonyloxyacetic acid

Database identifiers

CAS: 89753-85-5
PubChem CID: 20140862
DTXSID: DTXSID90602911

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 119 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 317

Related reactions

3 records

New reaction record

HRID 945936As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1252200As productuspto-grants-1988_05

HRID 1252201As reactantuspto-grants-1988_05

Compound notes

Loading…