AG0038L7

62254-74-4 | 5-Methylisoxazole-3-carboxaldehyde

AG0038L7

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CAS Number	62254-74-4
Catalog Number	AG0038L7(AGN-PC-0KL7DP)
Chemical Name	5-Methylisoxazole-3-carboxaldehyde
IUPAC Name	5-methyl-1,2-oxazole-3-carbaldehyde
InChI	InChI=1S/C5H5NO2/c1-4-2-5(3-7)6-8-4/h2-3H,1H3
InChI Key	OCOCVXUEFWNRJU-UHFFFAOYSA-N
MDL Number	MFCD06797459
Molecular Formula	C5H5NO2
Molecular Weight	111.0987
SMILES	Cc1cc(no1)C=O
Synonyms	62254-74-4, 5-methylisoxazole-3-carbaldehyde, 5-Methylisoxazole-3-carboxaldehyde, 5-methyl-1,2-oxazole-3-carbaldehyde, 5-methyl-3-isoxazolecarbaldehyde, 3-Isoxazolecarboxaldehyde, 5-methyl-, 5-Methyl-isoxazole-3-carbaldehyde, AC1MDSVO, PubChem11024, ACMC-1B6YU, 5-methyl-3-formyl-isoxazole, 5-methylisoxazole-3-aldehyde, SCHEMBL568495, AMOT0342, 5-methylisoxazol-3-carbaldehyde, CTK5B4834, DTXSID10383593, 5-methyl-3-isoxazole carbaldehyde, OCOCVXUEFWNRJU-UHFFFAOYSA-N, 5-Methyl-3-isoxazolecarboxaldehyde, KS-00000F7L, ZINC3880794, 3-Isoxazolecarboxaldehyde,5-methyl-, ANW-47381, BBL100235, MFCD06797459, SBB052294, STL553806, AKOS005169212, CM-1523, MCULE-7191377585, PS-6248, RP00518, 5-Methylisoxazole-3-carboxaldehyde, 95%, AC-24552, AJ-46545, AK-35881, AM804146, BR-35881, EN002323, SC-93702, AB0071772, DB-013436, TR-021398, 4CH-006678, CS-0085287, FT-0678171, ST24033057, W7431, S-6338, 254M744, I14-8763, J-517776, I14-12632, ZINC03880794, ACN-030184, CID2795222, A8603,

Complexity	94.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.032g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	111.1g/mol
Monoisotopic Mass	111.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H228-H302
Packing Group	Ⅲ
Precautionary statements	P210-P280
UN Code	UN 1325

Certificate of Analysis

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