AG00369I

89180-61-0 | Isoxazole-3-carbaldehyde

AG00369I

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CAS Number	89180-61-0
Catalog Number	AG00369I(AGN-PC-01V51C)
Chemical Name	Isoxazole-3-carbaldehyde
IUPAC Name	1,2-oxazole-3-carbaldehyde
InChI	InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H
InChI Key	WNVZOHNNPDZYFN-UHFFFAOYSA-N
MDL Number	MFCD06739019
Molecular Formula	C4H3NO2
Molecular Weight	97.0721
SMILES	O1N=C(C=C1)C=O
Synonyms	Isoxazole-3-carbaldehyde, 89180-61-0, 1,2-oxazole-3-carbaldehyde, 3-isoxazolecarboxaldehyde, isoxazolaldehyde, 3-formylisoxazole, ACMC-20agxf, isoxazol-3-carbaldehyde, PubChem14352, Isoxazole-3-carbaldehyde?, CTK3E7694, DTXSID70593212, WNVZOHNNPDZYFN-UHFFFAOYSA-N, EBD17383, 4723AC, ANW-72865, CI-316, isoxazole-3-carbaldehyde, AldrichCPR, MFCD06739019, ZINC20417648, AKOS005264208, PB26237, RP08196, AJ-77431, AM804505, AN-35274, BC201897, SC-83871, AB1011631, DB-029935, TC-072652, BB 0259416, CS-0053739, FT-0645245, C-8435, 180I610, A843084, I14-8698, J-521608, null, C4H3NO2, C2386,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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