AG0033RB

4825-75-6 | 3-Methylbenzo[d]isoxazole

AG0033RB

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CAS Number	4825-75-6
Catalog Number	AG0033RB(AGN-PC-07A22T)
Chemical Name	3-Methylbenzo[d]isoxazole
IUPAC Name	3-methyl-1,2-benzoxazole
InChI	InChI=1S/C8H7NO/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3
InChI Key	GAUKCDPSYQUYQL-UHFFFAOYSA-N
MDL Number	MFCD03701200
Molecular Formula	C8H7NO
Molecular Weight	133.1473
SMILES	Cc1noc2c1cccc2
Synonyms	3-Methylbenzo[d]isoxazole, 4825-75-6, 3-Methyl-1,2-benzisoxazole, 3-methyl-1,2-benzoxazole, 3-METHYL-BENZO[D]ISOXAZOLE, AC1Q2QBH, AC1N3OR5, SCHEMBL12331, 1,2-Benzisoxazole,3-methyl-, BEN013, CTK4J0735, DTXSID70398986, GAUKCDPSYQUYQL-UHFFFAOYSA-N, HMS1776K02, ZINC2509782, MFCD03701200, AKOS009028807, CS-W008538, DS-4239, MCULE-1582113864, MP-1919, TRA0029295, VO10092, AJ-36336, AK115585, CJ-08543, SC-69057, AB0054155, DB-049860, 4CH-015612, BB 0261315, FT-0671532, Z4787, EN300-14479, Z104341886, 3-Methylindoxazene, C8H7NO, 1,2-Benzisoxazole, 3-methyl-, ZINC02509782, CID4068104, A7334,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	133.053g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	133.15g/mol
Monoisotopic Mass	133.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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