AG001QF7

159015-06-2 | 4-Methyloxazole-5-carbaldehyde

AG001QF7

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CAS Number	159015-06-2
Catalog Number	AG001QF7(AGN-PC-0030BO)
Chemical Name	4-Methyloxazole-5-carbaldehyde
IUPAC Name	4-methyl-1,3-oxazole-5-carbaldehyde
InChI	InChI=1S/C5H5NO2/c1-4-5(2-7)8-3-6-4/h2-3H,1H3
InChI Key	ANPKYBKHXNFMFD-UHFFFAOYSA-N
MDL Number	MFCD10700248
Molecular Formula	C5H5NO2
Molecular Weight	111.0987
SMILES	O=CC1=C(C)N=CO1
Synonyms	4-Methyl-1,3-oxazole-5-carbaldehyde, 159015-06-2, 4-methyloxazole-5-carbaldehyde, 4-methyl-5-oxazolecarbaldehyde, SCHEMBL2518777, 4-Methyl -5-oxazolecarbaldehyde, 4-Methyl-oxazole-5-carbaldehyde, CTK0E6992, DTXSID50565432, ANPKYBKHXNFMFD-UHFFFAOYSA-N, 5-Oxazolecarboxaldehyde, 4-methyl-, 5034AD, SBB052298, ZINC20443741, AKOS006302304, MCULE-7950633787, AJ-77693, AM100307, C5H5NO2,

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	0.5

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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