AG00E9ZF

65373-53-7 | Isoxazole-4-carbaldehyde

AG00E9ZF

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CAS Number	65373-53-7
Catalog Number	AG00E9ZF(AGN-PC-03FHSW)
Chemical Name	Isoxazole-4-carbaldehyde
IUPAC Name	1,2-oxazole-4-carbaldehyde
InChI	InChI=1S/C4H3NO2/c6-2-4-1-5-7-3-4/h1-3H
InChI Key	BLOZNQVFQCOHRW-UHFFFAOYSA-N
MDL Number	MFCD02179515
Molecular Formula	C4H3NO2
Molecular Weight	97.0721
SMILES	O=CC1=CON=C1
Synonyms	ISOXAZOLE-4-CARBALDEHYDE, 65373-53-7, 1,2-oxazole-4-carbaldehyde, 4-isoxazolecarboxaldehyde, 4-Formylisoxazol, 4-formylisoxazole, CTK2F2482, DTXSID30617928, BLOZNQVFQCOHRW-UHFFFAOYSA-N, 0015AC, ANW-57679, MFCD02179515, ZINC20417325, AKOS003674008, AB11289, AJ-77410, DB-003699, ST2407062, TC-146424, FT-0690838, Z-5685, A835094, F2167-8475, C4H3NO2, 4-Isoxazolecarboxaldehyde (9CI),

Complexity	74.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	97.016g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	97.073g/mol
Monoisotopic Mass	97.016g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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