AG00CACD

3783-77-5 | 2-(3-Oxobutyl)isoindoline-1,3-dione

AG00CACD

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CAS Number	3783-77-5
Catalog Number	AG00CACD(AGN-PC-0JPBKP)
Chemical Name	2-(3-Oxobutyl)isoindoline-1,3-dione
EC Number	609-481-7
IUPAC Name	2-(3-oxobutyl)isoindole-1,3-dione
InChI	InChI=1S/C12H11NO3/c1-8(14)6-7-13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5H,6-7H2,1H3
InChI Key	ONTXCMXICQNNNO-UHFFFAOYSA-N
MDL Number	MFCD00458653
Molecular Formula	C12H11NO3
Molecular Weight	217.2206
NSC Number	154919
SMILES	O=C1N(CCC(C)=O)C(C2=C1C=CC=C2)=O
Synonyms	3783-77-5, N-(3-Oxobutyl)phthalimide, 2-(3-OXOBUTYL)ISOINDOLINE-1,3-DIONE, 2-(3-oxobutyl)-1h-isoindole-1,3(2h)-dione, 2-(3-oxobutyl)isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-(3-oxobutyl)-, 2-(3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione, NSC154919, AC1L6EDE, 4-phthalimido-2-butanone, 4-Phthalimidobutan-2-one, 4-Phthalimidyl-2-butanone, AC1Q6K1E, CHEMBL81321, SCHEMBL133683, AC1Q1K62, CTK4H8884, KS-00001AIY, DTXSID20302891, ONTXCMXICQNNNO-UHFFFAOYSA-N, ALBB-018718, ZINC1395243, AR3647, MFCD00458653, AKOS005264618, MCULE-2933812419, NSC-154919, RP07513, 2-(3-Oxo-butyl)-isoindole-1,3-dione, 2-(3-oxobutyl)iso indoline-1,3-dione, AM803814, CJ-04890, SC-92636, SY026748, 2-(3-Oxobut-1-yl)isoindolin-1,3-dione, AB0041212, CS-0036773, FT-0685996, Y8925, AZ0001-0315, EN300-71587, MFCD00458653 (95%), 2-(3-Oxobutyl)-1H-isoindol-1,3(2H)-dione, SR-01000307075, 11W-0240, 2-(3-Oxobut-1-yl)-1H-isoindole-1,3(2H)-dione, A1-00394, J-523013, SR-01000307075-1, Z96160464, F1967-6734, C12H11NO3, AR-1C7423, CID290728, X-1500, 38090-96-9,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.074g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.224g/mol
Monoisotopic Mass	217.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number