CAS 108541-25-9 1-(4-Methoxyphenyl)-2-oxo-3-pyrrolidinecarboxylic acid (HCID 3373117)

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Basic information

CAS: 108541-25-9
Standard SMILES: COc1ccc(N2CCC(C(=O)O)C2=O)cc1
InChIKey: AIMIQQQEWMWGNW-UHFFFAOYSA-N
Molecular formula: C12H13NO4
Average molar mass: 235.24 g/mol
Monoisotopic mass: 235.0844579

Names & identifiers

Preferred name: 1-(4-Methoxyphenyl)-2-oxo-3-pyrrolidinecarboxylic acid
IUPAC: 1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
English name: 1-(4-Methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
Molecular formula: C12H13NO4
Molecular weight: 235.24

Names & synonyms

1-(4-METHOXYPHENYL)-2-OXO-3-PYRROLIDINECARBOXYLIC ACIDRefChem:425758632-179-11-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid108541-25-9MFCD03932871AIMIQQQEWMWGNW-UHFFFAOYSA-NSCHEMBL8927901-(4-methoxyphenyl)-2-oxo-pyrrolidine-3-carboxylic AcidDTXSID60391901AKOS000164348AKOS022182300

Show more names

OTAVA-BB 1084295SALOR-INT L182958-1EA3-Pyrrolidinecarboxylic acid, 1-(4-Methoxyphenyl)-2-oxo-JR-6450, 1-(4-Methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid, 97%

DA-15763ST105506

Database identifiers

CAS: 108541-25-9
PubChem CID: 3373117
DTXSID: DTXSID60391901
EC Number: 632-179-1

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 310

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315-H302
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315-H302
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P