AG007HRA

3130-75-4 | 4-(1,3-DIOXOISOINDOLIN-2-YL)BUTANOIC ACID

AG007HRA

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CAS Number	3130-75-4
Catalog Number	AG007HRA(AGN-PC-08XVCI)
Chemical Name	4-(1,3-DIOXOISOINDOLIN-2-YL)BUTANOIC ACID
IUPAC Name	4-(1,3-dioxoisoindol-2-yl)butanoic acid
InChI	InChI=1S/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15)
InChI Key	HMKSXJBFBVGLJJ-UHFFFAOYSA-N
MDL Number	MFCD00196079
Molecular Formula	C12H11NO4
Molecular Weight	233.2200
NSC Number	119133
SMILES	OC(=O)CCCN1C(=O)C2=C(C=CC=C2)C1=O
UNII	PCM63TY4C3
Synonyms	4-phthalimidobutyric acid, 4-phthalimidobutyric acid, chloride, 3130-75-4, 4-(1,3-dioxoisoindolin-2-yl)butanoic acid, 4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid, 4-Phthalimidobutyric acid, Butyric acid, 4-phthalimido-, N-Phthaloyl GABA, 4-Phthalimidobuttersaure, 4-Phthalimidobuttersaure [German], N-Phthalyl-gamma-aminobutyric acid, 4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-butyric acid, 2-ISOINDOLINEBUTYRIC ACID, 1,3-DIOXO-, 4-Phthalimidobutanoic Acid, UNII-PCM63TY4C3, NSC 119133, BRN 0208243, PCM63TY4C3, 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-butanoic acid, 4-(1,3-dioxoisoindol-2-yl)butanoic acid, AI3-04699, HMKSXJBFBVGLJJ-UHFFFAOYSA-N, N-Phthalyl-.gamma.-aminobutyric acid, 2H-Isoindole-2-butanoic acid, 1,3-dihydro-1,3-dioxo-, 4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl) butanoic acid, 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid, 4-(1,3-dioxobenzo[c]azolin-2-yl)butanoic acid, n-phthalimidobutyric acid, AC1L2BZR, 4-phtalimido-butyric acid, 4-Phthalimidoylbutyric acid, 4-Phthalimidylbutanoic acid, AC1Q75GW, Cambridge id 5107302, gamma-phthalimidobutyric acid, TimTec1_002490, Oprea1_184274, Oprea1_575690, CBDivE_014309, 5-21-10-00481 (Beilstein Handbook Reference), Phthaloyl ?-aminobutyric acid, CHEMBL81673, SCHEMBL877279, 4-(n-phthalimide)butanoic acid, N-Phthalyl-?-aminobutyric acid, CTK1C2604, ZINC80458, DTXSID10185231, 4-(Phthalimid-1-yl)butanoic acid, HMS1541B04, 2-Isoindolinebutyric acid,3-dioxo-, ALBB-005291, EBD42617, KS-000019SY, ZERO/001688, ANW-58352, CCG-15147, MFCD00196079, NSC119133, RW3399, SBB009239, STK298624, AKOS000109292, MCULE-1397710690, NSC-119133, QC-1968, RP07514, VZ27628, AJ-10494, BAS 00104260, LS-84704, ST037667, AB0040992, DB-006528, TR-013320, BB 0244832, CS-0039066, FT-0084749, FT-0634687, P2112, ST24042780, Y8679, AZ0001-0288, EN300-00150, 2P-934, Y-8998, AB00073810-01, AE-848/01247032, SR-01000390253, 2H-Isoindole-2-butanoic acid,3-dihydro-1,3-dioxo-, 4(1,3-dioxo-1,3-dihydroisoindol-2-yl)butyric acid, I04-5678, J-513196, SR-01000390253-1, Z56174389, 2H-Isoindole-2-butanoicacid, 1,3-dihydro-1,3-dioxo-, F0849-0200, F1189-0010, 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butanoic acid, 4-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)butanoicacid, 4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-butyri c acid, 2H-Isoindole-2-butanoic acid, 1,3-dihydro-1,3-dioxo- (9CI), 4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid #, ?-Phthalimidobutyric acid, C12H11NO4, ACN-S002199, CID18411, C12-H11-N-O4, 4-(1,3-dioxoisoindolin-2-yl)butanoicacid,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.069g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.223g/mol
Monoisotopic Mass	233.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302+H312+H332-H315-H319-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number