AG0034DR

3883-64-5 | 7-Aminoisobenzofuran-1(3H)-one

AG0034DR

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CAS Number	3883-64-5
Catalog Number	AG0034DR(AGN-PC-0NCNR2)
Chemical Name	7-Aminoisobenzofuran-1(3H)-one
IUPAC Name	7-amino-3H-2-benzofuran-1-one
InChI	InChI=1S/C8H7NO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4,9H2
InChI Key	ZOKRDQGDSFSYSE-UHFFFAOYSA-N
MDL Number	MFCD02091632
Molecular Formula	C8H7NO2
Molecular Weight	149.1467
SMILES	NC=1C=CC=C2COC(C12)=O
Synonyms	3883-64-5, 7-AMINOISOBENZOFURAN-1(3H)-ONE, 7-AMINOZSOBENZOFURAN-1(3H)-ONE, 1(3H)-Isobenzofuranone, 7-amino-, 7-amino-2-benzofuran-1(3H)-one, 7-Amino-1(3H)-isobenzofuranon, 7-aminophthalide, 7-amino-3H-isobenzofuran-1-one, SCHEMBL1611599, CTK1B4615, DTXSID20447958, ZOKRDQGDSFSYSE-UHFFFAOYSA-N, 7-azanyl-3H-2-benzofuran-1-one, KS-000000JQ, 7-aminoisobenzo[b]furan-1(3h)-one, FCH845426, MFCD02091632, ZINC54965491, AKOS006278797, TRA0044801, SC-70678, 7-amino-1,3-dihydro-2-benzofuran-1-one, TC-066224, FT-0654322, A824293, I14-5717, CID10909726,

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	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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