AG002ADH

2058-74-4 | 1H-Indole-2,3-dione, 1-methyl-

AG002ADH

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CAS Number	2058-74-4
Catalog Number	AG002ADH(AGN-PC-0JKCU4)
Chemical Name	1H-Indole-2,3-dione, 1-methyl-
EC Number	218-164-9
IUPAC Name	1-methylindole-2,3-dione
InChI	InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
InChI Key	VCYBVWFTGAZHGH-UHFFFAOYSA-N
MDL Number	MFCD00005812
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
NSC Number	42449
SMILES	O=C1N(C)C2=C(C=CC=C2)C1=O
Synonyms	1-methyl-1H-indole-2,3-dione, 1-methylisatin, N-methylisatin, 1-Methylisatin, 2058-74-4, N-Methylisatin, 1-methylindoline-2,3-dione, 1-Methyl-1H-indole-2,3-dione, 1-methylindole-2,3-dione, 1H-Indole-2,3-dione, 1-methyl-, 1-Methyl-indole-2,3-dione, NSC 42449, 1 methylisatine, OL-57, 1-methyl-2,3-dihydro-1H-indole-2,3-dione, 1-Methyl-2,3-indolinedione, INDOLE-2,3-DIONE, 1-METHYL-, EINECS 218-164-9, MFCD00005812, N-methylindol-2,3-dione, BRN 0128280, N-Methylindoline-2,3-dione, 1-Methyl-2,3-dihydroindole-2,3-dione, CHEMBL60569, VCYBVWFTGAZHGH-UHFFFAOYSA-N, 1-Methylisatin, 98%, 1-methylbenzo[d]azolidine-2,3-dione, N-methyl isatin, Isatin analog 8, Ramosetron Impurity 1, 1-Methylisatin, 97%, Indole-2, 1-methyl-, AC1Q3XNY, ACMC-1CS4T, AC1L27SI, 1H-Indole-2, 1-methyl-, 5-21-10-00236 (Beilstein Handbook Reference), ARONIS24965, SCHEMBL126628, IND019, Indole-2,3-dione, N-methyl-, BDBM10304, CTK3J2597, KS-00000VWV, VCYBVWFTGAZHGH-UHFFFAOYSA-, DTXSID80174591, OL 57, ALBB-016867, KS-000046VA, NSC42449, ZINC1675288, 6972AD, BBL007926, FD7160, HTS028119, NSC-42449, SBB006835, STK801660, AKOS000267191, FS-1270, MCULE-1064235985, VZ33377, AC-26339, AJ-29389, AK-25575, CJ-27325, LS-83033, 1H-Indole-2,3-dione, 1-methyl- (9CI), AB0087890, DB-032067, RT-000798, 4CH-002995, AM20030312, CS-0045288, FT-0608044, M2706, ST24038133, ST45028789, 2,3-Dihydro-2,3-dioxo-1-methyl-1H-indole, L-2736, M50049, A814728, I10-1300, J-013443, Z56869450, F0722-0740, N‐methylindol‐2,3‐dione (Compound 2), InChI=1/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3, C9H7NO2, D0U3JD, C9-H7-N-O2, CID16358, 72V,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	37.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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