AG004NF3

84815-20-3 | 2-Methylthiophene-3-carbaldehyde

AG004NF3

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CAS Number	84815-20-3
Catalog Number	AG004NF3(AGN-PC-0JSERB)
Chemical Name	2-Methylthiophene-3-carbaldehyde
IUPAC Name	2-methylthiophene-3-carbaldehyde
InChI	InChI=1S/C6H6OS/c1-5-6(4-7)2-3-8-5/h2-4H,1H3
InChI Key	NSYHYZOBGJOIMD-UHFFFAOYSA-N
MDL Number	MFCD09864856
Molecular Formula	C6H6OS
Molecular Weight	126.1762
SMILES	CC1=C(C=O)C=CS1
Synonyms	2-methylthiophene-3-carbaldehyde, 84815-20-3, 2-Methylthiophene-3-carboxaldehyde, 3-thiophenecarboxaldehyde, 2-methyl-, 2-Methyl-3-formylthiophene, 3-Formyl-2-methylthiophene, 2-Methyl-thiophene-3-carbaldehyde, NSYHYZOBGJOIMD-UHFFFAOYSA-N, MFCD09864856, AC1Q6Q1Z, SCHEMBL645134, AC1LB569, CTK5F3212, DTXSID10336160, methyl-3-thiophenec arboxald ehyde, 3068AC, ANW-58376, KM2230, ZINC32167387, AKOS015898742, AB53893, PS-4448, QC-6033, KS-00002A72, 2-METHYL-3-THIOPHENECARBOXALDEHYDE, AJ-84860, DB-000857, TC-147121, FT-0715749, I09-1821, C6H6OS, AR-1F5287, CID529398, 86336-87-0,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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