AG00C8UV

4122-57-0 | 3-Methoxy-1(3h)-isobenzofuranone

AG00C8UV

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CAS Number	4122-57-0
Catalog Number	AG00C8UV(AGN-PC-0JMJC8)
Chemical Name	3-Methoxy-1(3h)-isobenzofuranone
IUPAC Name	3-methoxy-3H-2-benzofuran-1-one
InChI	InChI=1S/C9H8O3/c1-11-9-7-5-3-2-4-6(7)8(10)12-9/h2-5,9H,1H3
InChI Key	OIIJJGAFRGJQSQ-UHFFFAOYSA-N
MDL Number	MFCD01652196
Molecular Formula	C9H8O3
Molecular Weight	164.1580
NSC Number	408564
SMILES	O=C1OC(OC)C2=C1C=CC=C2
Synonyms	4122-57-0, 3-Methoxyphthalide, 3-Methoxy-1(3H)-isobenzofuranone, 3-Methoxyisobenzofuran-1(3H)-one, 3-Methoxy-2-benzofuran-1(3H)-one, NSC408564, AI-942/25034663, NSC 408564, ACMC-209jjd, AC1L8AIQ, KSC497S3R, SCHEMBL2631833, CTK3J7938, OIIJJGAFRGJQSQ-UHFFFAOYSA-N, 3-methoxy-3H-isobenzofuran-1-one, 3-methoxy-3H-2-benzofuran-1-one, ANW-29591, FCH920857, MFCD01652196, SBB087785, 3-methoxy-3-hydroisobenzofuran-1-one, 3-Methoxyisobenzo[b]furan-1(3H)-one, AKOS004907326, 3-Methoxy-2-isobenzofuran-1(3H)-one, ACM4122570, LS40148, NSC-408564, KS-0000145N, AK-88610, SY017409, 3-methoxy-1,3-dihydro-2-benzofuran-1-one, AX8227245, DB-024598, RT-004098, FT-0755131, M2007, ST24022934, W6167, MFCD01652196 (95%), I01-16852, 3-Methoxy-1 -isobenzofuranone, C9H8O3, CID349017,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.16g/mol
Monoisotopic Mass	164.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Signal Words	warning
UN Code

Certificate of Analysis

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