AG019W9K

Name: 3-Methyl-1-(thiophen-2-yl)butan-1-one
Brand: Angene Chemical
SKU: AG019W9K

17616-98-7 | 3-Methyl-1-(thiophen-2-yl)butan-1-one

AG019W9K

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CAS Number	17616-98-7
Catalog Number	AG019W9K(AGN-PC-0NH2BB)
Chemical Name	3-Methyl-1-(thiophen-2-yl)butan-1-one
IUPAC Name	3-methyl-1-thiophen-2-ylbutan-1-one
InChI	InChI=1S/C9H12OS/c1-7(2)6-8(10)9-4-3-5-11-9/h3-5,7H,6H2,1-2H3
InChI Key	HPNIWPZCGICRIJ-UHFFFAOYSA-N
MDL Number	MFCD11105582
Molecular Formula	C9H12OS
Molecular Weight	168.2560
SMILES	CC(CC(C1SC=CC=1)=O)C
Synonyms	3-methyl-1-(thiophen-2-yl)butan-1-one, 17616-98-7, 2-isovalerylthiophene, SCHEMBL3183222, CTK0E3811, DTXSID40457534, ZINC32006527, AKOS009347719, MCULE-5389048053, NE23795, 1-Butanone, 3-methyl-1-(2-thienyl)-, EN300-51137, Z1217910547, AC1Q1P2B, 3-methyl-1-thiophen-2-yl-butan-1-one, CID11171208,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.060886g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.26g/mol
Monoisotopic Mass	168.060886g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	45.3Å²
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited