AG0038YO

118994-84-6 | 4-Oxazolecarboxaldehyde

AG0038YO

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CAS Number	118994-84-6
Catalog Number	AG0038YO(AGN-PC-000XPM)
Chemical Name	4-Oxazolecarboxaldehyde
IUPAC Name	1,3-oxazole-4-carbaldehyde
InChI	InChI=1S/C4H3NO2/c6-1-4-2-7-3-5-4/h1-3H
InChI Key	JBWIIXBEPINWPB-UHFFFAOYSA-N
MDL Number	MFCD02179512
Molecular Formula	C4H3NO2
Molecular Weight	97.0721
SMILES	O=CC1=COC=N1
Synonyms	4-formyloxazole, oxazole-4-carbaldehyde, 118994-84-6, 4-Oxazolecarboxaldehyde, 1,3-oxazole-4-carbaldehyde, 4-FORMYLOXAZOLE, 1,3-Oxazole-4-carboxaldehyde, OXAZOLE-4-CARBOXALDEHYDE, MFCD02179512, oxazole-4-aldehyde, ACMC-20ac4e, 4-Formyl-1,3-oxazole, 4-OXAZOLECARBALDEHYDE, KSC173C5N, 4-Oxazolecarboxaldehyde, 97%, CHEMBL444137, CTK0H3156, DTXSID90558429, JBWIIXBEPINWPB-UHFFFAOYSA-N, KS-000006UK, ANW-66636, CO-115, SBB052299, ZINC15022244, AKOS005255696, PB23292, PS-9341, RP00396, RTR-003214, AJ-67123, AK-32956, AN-33046, CJ-15065, SC-48340, AB0033474, DB-030226, ST2418525, TR-003214, AM20080127, C2496, CS-0044894, FT-0647757, O0453, X7031, C-1399, 994O846, I14-8687, W-205028, Z2094166407, C4H3NO2, ACN-052681, A2467,

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-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	warning
UN Code

Certificate of Analysis

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