AG003DII

6946-10-7 | 1,3-Diacetoxyacetone ,

AG003DII

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CAS Number	6946-10-7
Catalog Number	AG003DII(AGN-PC-0JOHBN)
Chemical Name	1,3-Diacetoxyacetone ,
IUPAC Name	(3-acetyloxy-2-oxopropyl) acetate
InChI	InChI=1S/C7H10O5/c1-5(8)11-3-7(10)4-12-6(2)9/h3-4H2,1-2H3
InChI Key	PZVCVSQSQHGBNE-UHFFFAOYSA-N
MDL Number	MFCD01310655
Molecular Formula	C7H10O5
Molecular Weight	174.1513
SMILES	O=C(COC(C)=O)COC(C)=O
Synonyms	1,3-Diacetoxyacetone, 6946-10-7, 2-oxopropane-1,3-diyl diacetate, 1,3-Diacetoxy-2-propanone, 3-(acetyloxy)-2-oxopropyl acetate, 2-Propanone, 1,3-bis(acetyloxy)-, NSC53175, AC1L6BIP, AC1Q62PT, ACMC-1B97Y, CHEMBL54319, SCHEMBL311876, CTK5C9964, DTXSID40287893, PZVCVSQSQHGBNE-UHFFFAOYSA-N, (3-acetyloxy-2-oxopropyl) acetate, 2-Propanone,1,3-bis(acetyloxy)-, ZINC1684360, ANW-14077, MFCD01310655, NSC-53175, NSC403750, NSC524606, AKOS016035423, NSC-403750, NSC-524606, Acetic Acid 3-Acetoxy-2-oxopropyl Ester, TX-015835, D2843, AR-1E4694, CID243418, 105918-36-3,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.152g/mol
Monoisotopic Mass	174.053g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	69.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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