AG001IRY

14400-67-0 | 3(2H)-Furanone, 2,5-dimethyl-

AG001IRY

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CAS Number	14400-67-0
Catalog Number	AG001IRY(AGN-PC-0JLVVF)
Chemical Name	3(2H)-Furanone, 2,5-dimethyl-
EC Number	238-365-5
FEMA Number	4101
IUPAC Name	2,5-dimethylfuran-3-one
InChI	InChI=1S/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3
InChI Key	ASOSVCXGWPDUGN-UHFFFAOYSA-N
MDL Number	MFCD00052571
Molecular Formula	C6H8O2
Molecular Weight	112.1265
SMILES	O=C1C(C)OC(C)=C1
Synonyms	14400-67-0, 2,5-Dimethyl-3(2H)-furanone, 2,5-Dimethylfuran-3(2H)-one, 2,5-Dimethyl-2,3-dihydrofuran-3-one, 3(2H)-Furanone, 2,5-dimethyl-, 2,5-dimethylfuran-3-one, 2,5-Dimethyl-3(2H)furanone, 2H-Furan-3-one, 2,5-dimethyl, ASOSVCXGWPDUGN-UHFFFAOYSA-N, MFCD00052571, 2,5-Dimethyl-3[2H]Furanone, mango furanone, FEMA 4101, 2,5-dimethyl-3-(2h)-furanone, EINECS 238-365-5, 2,5-Dimethyl-3(2H)-furanone (natural), AC1Q2RIR, AC1Q6CLS, ACMC-1C1SH, 2,5-dimethyl-3-furanone, AC1L3A2Z, 2,5-dimethyl-furan-3-one, 2,5-Dimethyl-3(2H)furanon, 2,5dimethyl-3(3h)-furanone, SCHEMBL1114753, 2,5-dimethyl-3(3h)-furanone, Jsp002575, Jsp006366, 2,5-dimethyl-2H-furan-3-one, ASOSVCXGWPDUGN-UHFFFAOYSA-, CTK1C3067, 2,5-dimethyl-3(2 H)-furanone, 2,5-dimethyl-2-hydrofuran-3-one, KS-00000ZB5, ANW-20822, SBB055769, AKOS006227610, TRA0044795, VZ22802, AK117517, AN-17394, L098, SY036771, TS-01561, 2,5-Dimethyl-3(2H)-furanone, AldrichCPR, AB1005927, DB-042712, RT-003074, D3795, FT-0610435, ST24038760, MFCD00052571 (94%), 98D487, K-4615, A808151, I14-1533, W-108164, InChI=1/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3, null, UNII-73O869QGB2, C6H8O2, 73O869QGB2, C6-H8-O2, CID85730, AR-1D4453, ZINC00164377, ACN-035983, 2,5-Dimethyl-3(2H)-furanone, 98% - 5G 5g, 35298-48-7, 149310-61-2, 625-86-5, 63468-58-6,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.052g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	112.128g/mol
Monoisotopic Mass	112.052g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
UN Code	UN 1993

Certificate of Analysis

Lot Number