AG00BTJ3

220809-37-0 | 4-Hydroxy-6-isopropyl-2H-pyran-2-one

AG00BTJ3

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CAS Number	220809-37-0
Catalog Number	AG00BTJ3(AGN-PC-0AAML3)
Chemical Name	4-Hydroxy-6-isopropyl-2H-pyran-2-one
IUPAC Name	4-hydroxy-6-propan-2-ylpyran-2-one
InChI	InChI=1S/C8H10O3/c1-5(2)7-3-6(9)4-8(10)11-7/h3-5,9H,1-2H3
InChI Key	QJQGKFBKKILFFI-UHFFFAOYSA-N
MDL Number	MFCD06762851
Molecular Formula	C8H10O3
Molecular Weight	154.1632
SMILES	O=C1C=C(O)C=C(C(C)C)O1
Synonyms	220809-37-0, 4-hydroxy-6-(propan-2-yl)-2H-pyran-2-one, 4-Hydroxy-6-isopropyl-2H-pyran-2-one, 4-?hydroxy-?6-?(propan-?2-?yl)?-?2H-?pyran-?2-?one, SCHEMBL2573803, SCHEMBL17471243, 4-hydroxy-6-isopropyl-2-pyrone, QJQGKFBKKILFFI-UHFFFAOYSA-N, 4-hydroxy-6-isopropyl-pyran-2-one, MFCD06762851, ZINC15782619, AKOS006295658, NE23107, KS-0000085N, AS-53937, CS-0051213, 2H-Pyran-2-one, 4-hydroxy-6-(1-methylethyl)-, 2H-Pyran-2-one,4-hydroxy-6-(1-methylethyl)-(9CI), 2-hydroxy-6-propan-2-yl-pyran-4-one, CID11435058, 2H-Pyran-2-one, 4-hydroxy-6-(1-methylethyl)- (9CI),

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.063g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.165g/mol
Monoisotopic Mass	154.063g/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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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