AG002YCK

29421-72-5 | 3-Thiophenecarboxaldehyde, 5-methyl-

AG002YCK

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CAS Number	29421-72-5
Catalog Number	AG002YCK(AGN-PC-0LUGSZ)
Chemical Name	3-Thiophenecarboxaldehyde, 5-methyl-
IUPAC Name	5-methylthiophene-3-carbaldehyde
InChI	InChI=1S/C6H6OS/c1-5-2-6(3-7)4-8-5/h2-4H,1H3
InChI Key	XITNVIKTFZONKR-UHFFFAOYSA-N
MDL Number	MFCD07792887
Molecular Formula	C6H6OS
Molecular Weight	126.1762
SMILES	O=CC1=CSC(C)=C1
Synonyms	5-methylthiophene-3-carbaldehyde, 29421-72-5, 3-Thiophenecarboxaldehyde, 5-methyl-, 5-methyl-3-thiophenecarboxaldehyde, ASN 15393230, AC1O6KCB, 2-methyl-4-formyl-thiophene, SCHEMBL12422, 2-methyl-4-thiophene-aldehyd, CTK0J1322, DTXSID50424691, XITNVIKTFZONKR-UHFFFAOYSA-N, 5-Methyl-thiophene-3-carbaldehyde, ZINC4999814, MFCD07792887, AKOS006286902, DS-5950, KS-0000055W, AJ-52891, AK138065, CS-0054199, 2-methyl-4-thiophenecarboxaldehyde, CID6502011,

Complexity	92.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.014g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.173g/mol
Monoisotopic Mass	126.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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