AG0002XC

1008-75-9 | Isoxazole, 3-methyl-5-phenyl-

AG0002XC

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CAS Number	1008-75-9
Catalog Number	AG0002XC(AGN-PC-0JMP3I)
Chemical Name	Isoxazole, 3-methyl-5-phenyl-
IUPAC Name	3-methyl-5-phenyl-1,2-oxazole
InChI	InChI=1S/C10H9NO/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key	FBYQIYSAUFWXQK-UHFFFAOYSA-N
MDL Number	MFCD00020810
Molecular Formula	C10H9NO
Molecular Weight	159.1846
NSC Number	80670
SMILES	CC1=NOC(C2=CC=CC=C2)=C1
Synonyms	3-Methyl-5-phenylisoxazole, 1008-75-9, Isoxazole, 3-methyl-5-phenyl-, 3-methyl-5-phenyl-1,2-oxazole, 3-methyl-5-phenyl-isoxazole, FBYQIYSAUFWXQK-UHFFFAOYSA-N, NSC80670, PubChem15568, AC1L39BD, 3-Methyl-5-phenyl isoxazole, SCHEMBL354607, KS-00003QNL, DTXSID10143518, ZINC394563, 3-Methyl-5-phenylisoxazole, 95%, CCG-40373, MFCD00020810, NSC-80670, STK226171, AKOS000266300, MCULE-2152937341, NG-0404, RP22265, AJ-21386, AK142339, AM802827, FT-0687887, ST24042328, ST45100220, Z2742, A800292, J-512878, C10H9NO, CID136804, 3-Methyl-5-phenylisoxazole, 97% - 1G 1g, Isoxazole, 3-methyl-5-phenyl- (6CI,7CI,8CI,9CI),

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	159.188g/mol
Monoisotopic Mass	159.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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