AG003HU1

592-20-1 | 2-Oxopropyl acetate

AG003HU1

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CAS Number	592-20-1
Catalog Number	AG003HU1(AGN-PC-0JKA3Y)
Chemical Name	2-Oxopropyl acetate
EC Number	209-746-3
IUPAC Name	2-oxopropyl acetate
InChI	InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3
InChI Key	DBERHVIZRVGDFO-UHFFFAOYSA-N
MDL Number	MFCD00042848
Molecular Formula	C5H8O3
Molecular Weight	116.1152
SMILES	CC(OCC(C)=O)=O
UNII	CM71768T6Q
Synonyms	Acetoxyacetone, 2-Oxopropyl acetate, Acetonyl acetate, 592-20-1, Acetol acetate, Acetoxypropanone, O-Acetylacetol, 1-Acetoxyacetone, 2-Propanone, 1-(acetyloxy)-, Acetylmethyl acetate, Acetoxy-2-propanone, 1-Acetoxy-2-propanone, 1-Hydroxy-2-propanone acetate, UNII-CM71768T6Q, 2-Propanone, 1-hydroxy-, acetate, NSC 2298, NSC 7614, 1-Acetoxy-propan-2-one, 1-Acetyloxy-propan-2-one, 1-(Acetyloxy)-2-propanone, acetic acid 2-oxo-propyl ester, DBERHVIZRVGDFO-UHFFFAOYSA-N, CM71768T6Q, MFCD00042848, 2-Propanone, acetate, 2-Propanone, 1-hydroxy-, acetate (8CI), Essigsaure Aceton, EINECS 209-746-3, Acetic acid 2-oxopropyl, AI3-08537, AC1L1XOU, ACMC-1AXE7, SCHEMBL36403, DTXSID3060459, CTK6A2441, NSC2298, NSC7614, KS-000014EV, NSC-2298, NSC-7614, ZINC1640814, AKOS005216397, AN-46211, CJ-26428, DB-003580, TC-168007, Acetoxyacetone, technical, >=98.0% (GC), FT-0621810, FT-0659961, I14-6311, ACETIC ACID,(2-OXOPROPYL) ESTER ACETONYLACETATE, ACETIC ACID,(2-OXOPROPYL) ESTER ACETONYLACETATE, InChI=1/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H, Acetoxy-2-propanone(stabilizedwithMg6Al2(OH)16CO3·4H2O), 2-Propanone,1-(acetyloxy)-, C5-H8-O3, CID11593, 2-Propanone, 1-(acetyloxy)- (9CI), A1066,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.047g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	116.116g/mol
Monoisotopic Mass	116.047g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H302
Packing Group
Precautionary statements	P210-P280-P370+P378-P403+P235-P501
UN Code

Certificate of Analysis

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