AG000IJS

1193-79-9 | Ethanone, 1-(5-methyl-2-furanyl)-

AG000IJS

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CAS Number	1193-79-9
Catalog Number	AG000IJS(AGN-PC-0JKBS6)
Chemical Name	Ethanone, 1-(5-methyl-2-furanyl)-
EC Number	214-779-1
FEMA Number	3609
IUPAC Name	1-(5-methylfuran-2-yl)ethanone
InChI	InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChI Key	KEFJLCGVTHRGAH-UHFFFAOYSA-N
MDL Number	MFCD00003243
Molecular Formula	C7H8O2
Molecular Weight	124.1372
NSC Number	80404
SMILES	CC(=O)C1=CC=C(C)O1
UNII	IY49408H2O
Synonyms	5-methyl-2-furylmethylketone, 2-ACETYL-5-METHYLFURAN, 1193-79-9, 1-(5-methylfuran-2-yl)ethanone, 5-Methyl-2-acetylfuran, 1-(5-Methyl-2-furyl)ethanone, 5-Methyl-2-furylmethylketone, Ethanone, 1-(5-methyl-2-furanyl)-, 1-(5-Methyl-2-furanyl)ethanone, 2-Methyl-5-acetylfuran, 1-(5-Methyl-2-furyl)ethan-1-one, Methyl 5-methyl-2-furyl ketone, 5-Acetyl-2-methylfuran, 2-Acetyl-5-methyl-furan, Ketone, methyl 5-methyl-2-furyl, Furan, 2-acetyl-5-methyl-, 2-acetyl-5-methyl furan, 5-Methyl-2-acetyl furan, UNII-IY49408H2O, FEMA No. 3609, CHEBI:562752, EINECS 214-779-1, NSC 80404, 1-(5-methylfuran-2-yl)ethan-1-one, BRN 0110853, KEFJLCGVTHRGAH-UHFFFAOYSA-N, IY49408H2O, MFCD00003243, NSC80404, PubChem6971, 2-Acetyl, 5-mefuran, ACMC-1BREJ, 2-Acetyl 5-methylfuran, AC1Q1JNK, 2-acetyl 5-methyl furan, Epitope ID:136040, AC1L23ZO, 5-17-09-00424 (Beilstein Handbook Reference), KSC490Q2N, SCHEMBL183532, CHEMBL455506, 2-Acetyl-5-methylfuran, 98%, CTK3J0826, FEMA 3069, DTXSID70152409, 1-(5-Methyl-2-furyl)ethanone #, 1-(5-Methyl-2-furanyl)-Ethanone, ALBB-002841, ZINC1596545, 1-(5-methyl-furan-2-yl)-ethanone, ANW-17323, BBL027428, GEO-00034, NSC-80404, SBB046935, STK502523, AKOS000119488, LS-2540, MCULE-9973272981, RTR-003258, TRA0050147, VZ35666, 1-(5-Methyl-2-furanyl)ethanone, 9CI, 2-Acetyl-5-methylfuran, >=98%, FG, AC-23593, AJ-27857, AK-77189, AN-20645, BC218741, CJ-05652, CJ-25611, DS-17000, L146, Methyl (5-methyl-2-furyl) ketone, 8CI, SY013987, AB0004836, DB-003537, TR-003258, 2-Acetyl-5-methylfuran, analytical standard, A0983, FT-0610962, R1060, ST24026933, ST50945663, MFCD00003243 (98%), A804269, I14-0733, Q-100091, Z94598638, F0001-0319, InChI=1/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H, C7H8O2, C7-H8-O2, CID14514, 2-Acetyl-5-methylfuran, 98% - 100G 100g,

Complexity	120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.052g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	124.139g/mol
Monoisotopic Mass	124.052g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H227-H302
Precuationary statements	P280
Siginal words

Certificate of Analysis

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