AG001ZB8

17395-99-2 | 1,3-Isobenzofurandione, 4-amino-

AG001ZB8

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CAS Number	17395-99-2
Catalog Number	AG001ZB8(AGN-PC-0JMGWZ)
Chemical Name	1,3-Isobenzofurandione, 4-amino-
IUPAC Name	4-amino-2-benzofuran-1,3-dione
InChI	InChI=1S/C8H5NO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H,9H2
InChI Key	DQNFPCOVVBRXOY-UHFFFAOYSA-N
MDL Number	MFCD00117589
Molecular Formula	C8H5NO3
Molecular Weight	163.1302
NSC Number	403250
SMILES	NC1=C2C(OC(C2=CC=C1)=O)=O
Synonyms	17395-99-2, 4-AMINOISOBENZOFURAN-1,3-DIONE, 3-aminophthalic anhydride, 4-amino-2-benzofuran-1,3-dione, 1,3-Isobenzofurandione, 4-amino-, NSC403250, SCHEMBL707373, AC1L830L, 4-amino-isobenzofuran-1,3-dione, DTXSID80323168, DQNFPCOVVBRXOY-UHFFFAOYSA-N, 4-amino-1,3-Isobenzo[b]furandione, ZINC60223012, NSC-403250, SC-21752, CS-0060629, CID345551, 1,3-Isobenzofurandione, 4-amino- (9CI),

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.027g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.132g/mol
Monoisotopic Mass	163.027g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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