AG000FEW

114908-93-9 | 2(5H)-Furanone, 3-(1,1-dimethylethyl)-4-hydroxy-

AG000FEW

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CAS Number	114908-93-9
Catalog Number	AG000FEW(AGN-PC-0AKPLG)
Chemical Name	2(5H)-Furanone, 3-(1,1-dimethylethyl)-4-hydroxy-
IUPAC Name	4-tert-butyl-3-hydroxy-2H-furan-5-one
InChI	InChI=1S/C8H12O3/c1-8(2,3)6-5(9)4-11-7(6)10/h9H,4H2,1-3H3
InChI Key	FCQYJJRHGZWCNZ-UHFFFAOYSA-N
MDL Number	MFCD08236783
Molecular Formula	C8H12O3
Molecular Weight	156.1791
SMILES	CC(C)(C)C1=C(O)COC1=O
Synonyms	114908-93-9, 3-TERT-BUTYL-4-HYDROXYFURAN-2(5H)-ONE, 3-(tert-Butyl)-4-hydroxyfuran-2(5H)-one, 2(5H)-Furanone, 3-(1,1-dimethylethyl)-4-hydroxy-, 2(5H)-Furanone,3-(1,1-dimethylethyl)-4-hydroxy-, 342652-85-1, PubChem19205, ACMC-1BT63, SCHEMBL2646266, CTK4A8970, DTXSID10716382, FCQYJJRHGZWCNZ-UHFFFAOYSA-N, KS-00000C9B, 5925AJ, FCH858880, MFCD08236783, AKOS006285509, ZINC100085026, AB44007, TRA0127652, 4-tert-butyl-3-hydroxy-2H-furan-5-one, CS-11183, SY008324, AB0066089, DB-060647, TC-307473, FT-0713261, K-1071, MFCD08236783 (95+%), I14-17697, 3-TERT-BUTYL-4-HYDROXY-2,5-DIHYDROFURAN-2-ONE, 3-(1,1-DIMETHYLETHYL)-4-HYDROXY-2(5H)-FURANONE, C8H12O3, 3-tert-butyl-4-hydroxy-2-furanone, 3-(1,1-dimethyleth-1-yl)-4-hydroxy-2(5H)-furanone, 106877-33-2, 138564-58-6,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.079g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.181g/mol
Monoisotopic Mass	156.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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