AG007VKA

16837-14-2 | 1,3-Dioxane-5-carboxylicacid, 2,2,5-trimethyl-

AG007VKA

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CAS Number	16837-14-2
Catalog Number	AG007VKA(AGN-PC-007G5Z)
Chemical Name	1,3-Dioxane-5-carboxylicacid, 2,2,5-trimethyl-
IUPAC Name	2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid
InChI	InChI=1S/C8H14O4/c1-7(2)11-4-8(3,5-12-7)6(9)10/h4-5H2,1-3H3,(H,9,10)
InChI Key	WZEWDEAIHCUMKY-UHFFFAOYSA-N
MDL Number	MFCD08272187
Molecular Formula	C8H14O4
Molecular Weight	174.1944
SMILES	O=C(C1(C)COC(C)(C)OC1)O
Synonyms	2,2,5-trimethyl-1,3-dioxane-5-carboxylic Acid, 16837-14-2, 1,3-Dioxane-5-carboxylicacid, 2,2,5-trimethyl-, 1,3-Dioxane-5-carboxylicacid,2,2,5-trimethyl-, SCHEMBL42141, CTK0H2087, DTXSID80463290, WZEWDEAIHCUMKY-UHFFFAOYSA-N, ZINC22067371, AKOS006286024, MCULE-6204886022, NE59614, SC-93538, FT-0675619, 2,2,5-Trimethyl-m-dioxane-5-carboxylic Acid, 2,2,5-trimethyl-1,3-dioxane5-carboxylic acid, 2,2,5-trimethyl-(1,3)dioxane-5-carboxylic acid, 837T142, (2,2,5-trimethyl-1,3-dioxan-5-yl)carboxylic acid, J-010451, Z1552027121, CID11355776,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.089g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.196g/mol
Monoisotopic Mass	174.089g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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