AG00AS5Z

153744-36-6 | Methyl 3-(1,3-dioxoisoindolin-2-yl)-2-hydroxypropanoate

AG00AS5Z

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CAS Number	153744-36-6
Catalog Number	AG00AS5Z(AGN-PC-0NE74S)
Chemical Name	Methyl 3-(1,3-dioxoisoindolin-2-yl)-2-hydroxypropanoate
IUPAC Name	methyl 3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoate
InChI	InChI=1S/C12H11NO5/c1-18-12(17)9(14)6-13-10(15)7-4-2-3-5-8(7)11(13)16/h2-5,9,14H,6H2,1H3
InChI Key	GYRHMODRZVFVDV-UHFFFAOYSA-N
MDL Number	MFCD28134513
Molecular Formula	C12H11NO5
Molecular Weight	249.2194
SMILES	O=C(OC)C(O)CN(C(C1=C2C=CC=C1)=O)C2=O
Synonyms	Methyl 3-(1,3-dioxoisoindolin-2-yl)-2-hydroxypropanoate, 153744-36-6, AK162285, KS-00000SLU, DS-7750, FCH5803571, BBV-55622873, AX8294631, ST24047759, methyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-hydroxypropanoate,

Complexity	357
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.064g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.222g/mol
Monoisotopic Mass	249.064g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	83.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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