AG00368K

57319-65-0 | 6-Aminoisobenzofuran-1(3H)-one

AG00368K

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CAS Number	57319-65-0
Catalog Number	AG00368K(AGN-PC-0JM09F)
Chemical Name	6-Aminoisobenzofuran-1(3H)-one
EC Number	260-675-4
IUPAC Name	6-amino-3H-2-benzofuran-1-one
InChI	InChI=1S/C8H7NO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4,9H2
InChI Key	ZIJZDNKZJZUROE-UHFFFAOYSA-N
MDL Number	MFCD00033530
Molecular Formula	C8H7NO2
Molecular Weight	149.1467
NSC Number	49585
SMILES	NC1=CC=C2COC(C2=C1)=O
Synonyms	6-aminophthalide, 6-Aminophthalide, 57319-65-0, 6-aminoisobenzofuran-1(3H)-one, 6-Amino-1,3-dihydroisobenzofuran-1-one, 6-Amino-2-benzofuran-1(3H)-one, 6-Amino-3H-isobenzofuran-1-one, 6-amino-3H-2-benzofuran-1-one, 1(3H)-Isobenzofuranone, 6-amino-, 6-AMINO-1,3-DIHYDRO-2-BENZOFURAN-1-ONE, ZIJZDNKZJZUROE-UHFFFAOYSA-N, MFCD00033530, 6-AMINO-1(3H)-ISOBENZOFURANONE, 6-amino-3-hydroisobenzofuran-1-one, 6-Aminophthalid, EINECS 260-675-4, PubChem6988, ACMC-1AWLK, AC1Q6HPD, AC1L3QL2, SCHEMBL655727, CTK5A6661, DTXSID40205936, ZINC128638, 1(3H)-Isobenzofuranone,6-amino-, KS-000019YV, NSC49585, ANW-57515, NSC-49585, SBB028286, STK764062, 6-Amino-2-benzofuran-1(3H)-one #, AKOS000112972, AS-5649, MCULE-1549045022, PB15617, RP01617, SDCCGMLS-0066145.P001, VZ30642, 5-amino-3-oxo-1,3-dihydroisobenzofuran, NCGC00335972-01, AJ-12023, AK-80334, AN-39955, ST037654, ZB004478, AB0003505, TC-066222, AM20080823, CS-0036733, FT-0620898, ST24045110, TL80090919, Y9516, Q-1242, Z-8051, AB01328095-02, 319A650, J-518201, F0451-1032, Z276599558, A2417/0102506, C8H7NO2, C8-H7-N-O2, CID93631, AR-1H0846, 1-(6-Chloro-3-pyridinyl)-1-ethanone, 5905-17-9,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.048g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	149.149g/mol
Monoisotopic Mass	149.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

Lot Number