AG003IOL

54593-26-9 | 3,5-Dimethyl-4-isoxazolecarbaldehyde

AG003IOL

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CAS Number	54593-26-9
Catalog Number	AG003IOL(AGN-PC-03FU0B)
Chemical Name	3,5-Dimethyl-4-isoxazolecarbaldehyde
IUPAC Name	3,5-dimethyl-1,2-oxazole-4-carbaldehyde
InChI	InChI=1S/C6H7NO2/c1-4-6(3-8)5(2)9-7-4/h3H,1-2H3
InChI Key	TVAYXKLCEILMEA-UHFFFAOYSA-N
MDL Number	MFCD02681977
Molecular Formula	C6H7NO2
Molecular Weight	125.1253
NSC Number	151753
SMILES	O=CC1=C(C)ON=C1C
Synonyms	3,5-Dimethyl-4-Isoxazolecarbaldehyde, 54593-26-9, 3,5-dimethylisoxazole-4-carbaldehyde, 3,5-dimethyl-1,2-oxazole-4-carbaldehyde, 3,5-DIMETHYLISOXAZOLE-4-CARBOXALDEHYDE, MFCD02681977, 4-Isoxazolecarboxaldehyde, 3,5-dimethyl-, 3,5-Dimethyl-4-formalisoxazole, NSC151753, PubChem8682, AC1L6BZT, AC1Q2EVN, AC1Q2EVO, ACMC-1AXD1, AC1Q6Q1Y, SCHEMBL96416, KSC496E3J, CTK3J6234, DTXSID90302520, TVAYXKLCEILMEA-UHFFFAOYSA-N, WT779, ZINC158502, ACT01855, ALBB-004460, KS-00000O8F, 3,5-dimethylisoxazol-4-carbaldehyde, ANW-32121, SBB047372, STK502097, 3,5-dimethyl-isoxazole-4-carbaldehyde, AKOS000264823, AB12163, CS-W002952, MCULE-2065045169, NSC-151753, PS-4243, RP00768, RTR-032615, VO10029, AJ-15200, AK-35596, AN-40531, BR-35596, CJ-01754, SC-05241, SY019252, ZB006911, AB0025419, AB1008641, DB-022092, ST2417305, TR-032615, BB 0255051, D4682, FT-0614675, W6880, EN300-09266, MFCD02681977 (97%), 3,5-DIMETHYL-4-ISOXAZOLECARBOXALDEHYDE, C-1416, 3,5-dimethyl-4-isoxazolecarbaldehyde, AldrichCPR, 593D269, 54593-26-9 3,5-dimethylisoxazole-4-carbaldehyde, J-511348, 3,5-Dimethyl-4-formylisoxazole; 3,5-Dimethylisoxazole-4-carboxaldehyde, C6H7NO2, AR-1E9723, CID289576, 3,5-Dimethyl-4-isoxazolecarbaldehyde, 97% - 1G 1g, 5469-80-7,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	125.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	125.127g/mol
Monoisotopic Mass	125.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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