AG003DK8

18664-32-9 | 1,3-Dimethoxypropan-2-one

AG003DK8

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CAS Number	18664-32-9
Catalog Number	AG003DK8(AGN-PC-0K63TH)
Chemical Name	1,3-Dimethoxypropan-2-one
IUPAC Name	1,3-dimethoxypropan-2-one
InChI	InChI=1S/C5H10O3/c1-7-3-5(6)4-8-2/h3-4H2,1-2H3
InChI Key	SZVHDRLVQJXQBT-UHFFFAOYSA-N
MDL Number	MFCD00270306
Molecular Formula	C5H10O3
Molecular Weight	118.1311
SMILES	C(=O)(COC)COC
Synonyms	1,3-dimethoxypropan-2-one, 1,3-Dimethoxyacetone, 18664-32-9, 2-Propanone, 1,3-dimethoxy-, 1,3-dimethoxy-2-propanone, methoxymethyl ketone, AC1LT3P6, AC1Q4FH9, 2-Propanone,1,3-dimethoxy-, SCHEMBL626926, CTK4D9298, DTXSID50363551, 1,3-dimethoxyacetone, AldrichCPR, SZVHDRLVQJXQBT-UHFFFAOYSA-N, KS-00000LZ4, ZINC1420536, MFCD00270306, AKOS006342994, CS-W007070, DS-4682, AJ-25767, AK116819, SC-43684, TX-015840, ST24036806, D23100, CID1501888, 4-(methoxycarbonyl)-3-methylbenzoic acid, 116934-87-3,

Complexity	62.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.063g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	118.132g/mol
Monoisotopic Mass	118.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P264-P270-P301+P312-P330-P501
Siginal words

Certificate of Analysis

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