AG0023FN

1821739-82-5 | 1,4-Dioxane-2-carboxylic acid, (2S)-

AG0023FN

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CAS Number	1821739-82-5
Catalog Number	AG0023FN(AGN-PC-0WANKA)
Chemical Name	1,4-Dioxane-2-carboxylic acid, (2S)-
IUPAC Name	(2S)-1,4-dioxane-2-carboxylic acid
InChI	InChI=1S/C5H8O4/c6-5(7)4-3-8-1-2-9-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
InChI Key	VGBAYGFELCUXBS-BYPYZUCNSA-N
MDL Number	MFCD26954726
Molecular Formula	C5H8O4
Molecular Weight	132.1146
SMILES	O=C([C@H]1OCCOC1)O
Synonyms	(S)-1,4-Dioxane-2-carboxylic acid, 1821739-82-5, (2S)-1,4-dioxane-2-carboxylic acid, KS-00000SX4, MFCD26954726, ZINC20446293, (S)-[1,4Dioxane-2-carboxylic acid, AKOS025287430, (S)-[1,4]Dioxane-2-carboxylic acid, DS-9567, 1,4-Dioxane-2-carboxylic acid, (2S)-, AJ-77741, Z-7880, N/A,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	132.042g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	132.115g/mol
Monoisotopic Mass	132.042g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

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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