AG00CKOX

3511-32-8 | 3(2H)-Furanone, 5-methyl-

AG00CKOX

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CAS Number	3511-32-8
Catalog Number	AG00CKOX(AGN-PC-0NJZNA)
Chemical Name	3(2H)-Furanone, 5-methyl-
FEMA Number	4176
IUPAC Name	5-methylfuran-3-one
InChI	InChI=1S/C5H6O2/c1-4-2-5(6)3-7-4/h2H,3H2,1H3
InChI Key	DFZCBMOGIYUCLI-UHFFFAOYSA-N
MDL Number	MFCD15143719
Molecular Formula	C5H6O2
Molecular Weight	98.0999
SMILES	O=C1COC(C)=C1
UNII	D0380N8E30
Synonyms	5-Methylfuran-3(2H)-one, 3511-32-8, 5-Methylfuran-3-one, 3(2H)-furanone, 5-methyl-, UNII-D0380N8E30, 5-METHYL-3(2H)-FURANONE, D0380N8E30, AK142223, FEMA no. 4176, 5-Methyl-3(2H)-furanone [FHFI], 5-methyl-furan-3-one, 3(2H)-Furanone,5-methyl-, CTK4H3671, KS-00000RVV, DTXSID30188608, DFZCBMOGIYUCLI-UHFFFAOYSA-N, MFCD15143719, ZINC39271255, AKOS022174770, FCH1157559, AJ-99550, ST2406321, 4CH-018567, CS-0092875, 3 -Furanone,5-methyl-, ACN-038089,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	98.037g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	98.101g/mol
Monoisotopic Mass	98.037g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
Signal Words	danger
UN Code	UN 1993

Certificate of Analysis

Lot Number