methyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-oxopropanoate

methyl 3-(1,3-dioxoisoindolin-2-yl)-2-oxopropanoate · Methyl 1,3-dihydro-α,1,3-trioxo-2H-isoindole-2-propanoate · Methyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-oxopropanoate · Methyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-oxopropanoate · 2H-Isoindole-2-propanoic acid, 1,3-dihydro-α,1,3-trioxo-, methyl ester

https://huagongshe.com/en/chemical/11831747

methyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-oxopropanoate molecular structure

Identifiers & Physical Properties

CAS No.	153646-24-3
Molecular formula	C12H9NO5
Average molar mass	247.2 g/mol
Monoisotopic mass	247.04807239 g/mol
SMILES	COC(=O)C(=O)CN1C(=O)c2ccccc2C1=O
InChIKey	CRFRUUGFDCLUOV-UHFFFAOYSA-N
PubChem CID	11831747
EC No.	823-896-2

Chemical & Physical Properties

XLogP	0.7
Topological polar surface area	80.8
Hydrogen bond donors	0
Hydrogen bond acceptors	5
Rotatable bonds	4
Heavy atoms	18
Formal charge	0
Complexity	393
Boiling point	392.5±25.0 °C(Predicted)
Density	1.422±0.06 g/cm3(Predicted)
pKa (acidity coefficient)	-2+-.0.20(Predicted)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319-H302-H335
GHS precautionary statements	P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & Regulations

GHS classification	WarningH302 (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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H315-H319-H302-H335
GHS precautionary statements	P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 11831747Generated: November 4, 2026

methyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-oxopropanoate

https://huagongshe.com/en/chemical/11831747

Identifiers & Physical Properties

CAS No.	153646-24-3
Molecular formula	C12H9NO5
Average molar mass	247.2 g/mol
Monoisotopic mass	247.04807239 g/mol
SMILES	COC(=O)C(=O)CN1C(=O)c2ccccc2C1=O
InChIKey	CRFRUUGFDCLUOV-UHFFFAOYSA-N
PubChem CID	11831747
EC No.	823-896-2

Chemical & Physical Properties

XLogP	0.7
Topological polar surface area	80.8
Hydrogen bond donors	0
Hydrogen bond acceptors	5
Rotatable bonds	4
Heavy atoms	18
Formal charge	0
Complexity	393
Boiling point	392.5±25.0 °C(Predicted)
Density	1.422±0.06 g/cm3(Predicted)
pKa (acidity coefficient)	-2+-.0.20(Predicted)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319-H302-H335
GHS precautionary statements	P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & Regulations

GHS classification	WarningH302 (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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H315-H319-H302-H335
GHS precautionary statements	P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362