AG0012DL

13679-72-6 | Ethanone, 1-(3-methyl-2-thienyl)-

AG0012DL

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CAS Number	13679-72-6
Catalog Number	AG0012DL(AGN-PC-0WBSPR)
Chemical Name	Ethanone, 1-(3-methyl-2-thienyl)-
EC Number	237-179-1
IUPAC Name	1-(3-methylthiophen-2-yl)ethanone
InChI	InChI=1S/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3
InChI Key	YBJDKNXEWQSGEL-UHFFFAOYSA-N
MDL Number	MFCD00005443
Molecular Formula	C7H8OS
Molecular Weight	140.2028
NSC Number	170616
SMILES	c1cc(c(s1)C(=O)C)C
Synonyms	2-Acetyl-3-methylthiophene, 13679-72-6, 1-(3-methylthiophen-2-yl)ethanone, 1-(3-Methyl-2-thienyl)ethanone, 3-methyl-2-acetylthiophene, Ethanone, 1-(3-methyl-2-thienyl)-, 1-(3-Methyl-2-thienyl)ethan-1-one, Thiophene, 2-acetyl-3-methyl, 1-(3-methylthiophen-2-yl)ethan-1-one, YBJDKNXEWQSGEL-UHFFFAOYSA-N, MFCD00005443, 1-(3-Methyl-thiophen-2-yl)-ethanone, EINECS 237-179-1, NSC170616, PubChem5186, ACMC-20ai3h, acetyl-3-methylthiophene, AC1L35VF, AC1Q1JC7, AC1Q5G7J, SCHEMBL10442, BIDD:GT0036, CTK4C0478, 2-acetyl-3-methylthiophene,98%, DTXSID90159930, 2-Acetyl-3-methylthiophene, 98%, 1-(3-Methyl-2-thienyl)-Ethanone, ZINC1081110, ANW-74379, Ethanone,1-(3-methyl-2-thienyl)-, GEO-00035, SBB066531, AKOS009159133, MCULE-5541139517, NSC-170616, VT20084, 1-(3-Methyl-2-thienyl)ethanone, 9CI, Methyl 3-methyl-2-thienyl ketone, 8CI, AJ-24890, ZB015866, DB-042354, ST2414992, TC-010481, TL8000854, FT-0610954, ST50823698, Z5455, EN300-75824, Z-0557, 679A726, W-109013, Z1259339829, C7H8OS, 3-Methyl-2-acetyl thiophene, C7-H8-O-S, KST-1B0349, CID83653, Etanona, 1-(3-metil-2-tienil)-, AR-1B1537, 2-Acetyl-3-methylthiophene, 98% - 1G 1g, 13826-55-6,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.03g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	140.2g/mol
Monoisotopic Mass	140.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number