AG00378X

40834-42-2 | 5-Hydroxy-4-Methyl-2(5H)Furanone

AG00378X

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CAS Number	40834-42-2
Catalog Number	AG00378X(AGN-PC-05XATG)
Chemical Name	5-Hydroxy-4-Methyl-2(5H)Furanone
EC Number	609-869-6
IUPAC Name	2-hydroxy-3-methyl-2H-furan-5-one
InChI	InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,5,7H,1H3
InChI Key	XRNPHZPFAWLRNJ-UHFFFAOYSA-N
MDL Number	MFCD07782086
Molecular Formula	C5H6O3
Molecular Weight	114.0993
SMILES	O=C1C=C(C(O1)O)C
Synonyms	40834-42-2, 5-hydroxy-4-methylfuran-2(5H)-one, 5-HYDROXY-4-METHYL-2(5H)FURANONE, 5-Hydroxy-4-methyl-2(5H)-furanone, 2-hydroxy-3-methyl-2H-furan-5-one, 5-hydroxy-4-methyl-2,5-dihydrofuran-2-one, 2(5H)-Furanone, 5-hydroxy-4-methyl-, 5-Hydroxy-4-methyl-5H-furan-2-one, 4-Methyl-5-hydroxy-2(5H)-furanone, 2(5H)-Furanone, 5-hydroxy-4-methyl (Intermediates of Isotretinoin), 5-hydroxy-4-methyl-2[5H]-furanone, zlchem 431, 2(5H)-Furanone, 5-hydroxy-4-methyl, AC1L3GWK, EC 609-869-6, KSC496E0T, SCHEMBL363396, FUR001, CTK3J6209, ZLC0288, XRNPHZPFAWLRNJ-UHFFFAOYSA-N, ACT02807, BCP22811, AC-505, ANW-47954, GEO-03047, MFCD07782086, 4-Methyl-5-hydroxyfuran-2(5H)-one, 3-methyl-2-oxidanyl-2H-furan-5-one, 4-Hydroxy-3-methylbut-2-en-4-olide, AKOS006284931, BCP9000185, DS-1694, RL03577, AK-59834, AN-15784, BC213808, BR-59834, EN000145, SC-47793, AB0024795, DB-029160, RT-002902, ST2412037, 4CH-015900, CS-0050459, FT-0082062, FT-0601904, W6138, S-4135, 834H422, A825305, I14-7594, J-509619, |A-Hydroxy-|A-methylbutenolide, C5H6O3, 4-hydroxy-3-methylbut-2-enolide, C5-H6-O3, CID115301, 5-HYDROXY-4-METHYL-2 FURANONE, (R)-beta-Amino-4-hydroxybenzenepropanol hydrochloride,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.032g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	114.1g/mol
Monoisotopic Mass	114.032g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number