AG007R79

118994-86-8 | Oxazole-5-carboxaldehyde

AG007R79

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CAS Number	118994-86-8
Catalog Number	AG007R79(AGN-PC-00H0NC)
Chemical Name	Oxazole-5-carboxaldehyde
IUPAC Name	1,3-oxazole-5-carbaldehyde
InChI	InChI=1S/C4H3NO2/c6-2-4-1-5-3-7-4/h1-3H
InChI Key	YOFJBRZKRZUDGB-UHFFFAOYSA-N
MDL Number	MFCD02179513
Molecular Formula	C4H3NO2
Molecular Weight	97.0721
SMILES	O=CC1=CN=CO1
Synonyms	118994-86-8, 5-OXAZOLECARBOXALDEHYDE, OXAZOLE-5-CARBALDEHYDE, 1,3-oxazole-5-carbaldehyde, oxazole-5-carboxaldehyde, 5-Formyloxazole, 5-formyl-oxazole, oxazol-5-carbaldehyde;, 5-oxazolecarboxaldehyde;, ACMC-1BYOS, oxazole-5-carbaldehyde;, oxazole-5-carboxaldehyde;, oxazole-5-carboxyaldehyde;, CTK0H3157, DTXSID70473949, YOFJBRZKRZUDGB-UHFFFAOYSA-N, 5-oxazolecarboxaldehyde, AldrichCPR, ZINC2577850, ANW-64143, BBL100228, CO-144, EBD248131, MFCD02179513, SBB052297, STL553799, AKOS006283212, AB11283, CS-W000738, RP18616, RTX-012804, AJ-42678, BR-25315, AB1010211, DB-003747, ST2413644, AM20080128, BB 0260789, FT-0084327, FT-0645257, X9341, S-6346, J-004028, J-517898, null, C4H3NO2, 5-Oxazolecarboxaldehyde (9CI), ACN-045233, CID11829372, C2499,

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	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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