AG007EKO

105499-32-9 | 2H-Pyran-2-carboxylic acid, tetrahydro-, (S)-

AG007EKO

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CAS Number	105499-32-9
Catalog Number	AG007EKO(AGN-PC-0NW471)
Chemical Name	2H-Pyran-2-carboxylic acid, tetrahydro-, (S)-
IUPAC Name	(2S)-oxane-2-carboxylic acid
InChI	InChI=1S/C6H10O3/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1
InChI Key	MQAYFGXOFCEZRW-YFKPBYRVSA-N
MDL Number	MFCD18909424
Molecular Formula	C6H10O3
Molecular Weight	130.1418
SMILES	O=C([C@@H]1CCCCO1)O
Synonyms	105499-32-9, (S)-Tetrahydro-2H-pyran-2-carboxylic acid, (2S)-Oxane-2-carboxylic acid, 2H-Pyran-2-carboxylic acid, tetrahydro-, (S)-, SCHEMBL8086969, CTK0G5406, DTXSID20501428, KS-000008QT, MFCD18909424, ZINC12370258, AKOS016844291, AJ-61779, TS-01703, (S)-2H-Tetrahydropyran-2-carboxylic acid, Tetrahydro-2H-pyran-2alpha-carboxylic acid, CS-0053085, Oxane-2-carboxylic Acid, (2R)-Oxane-2-carboxylic acid, 2H-Pyran-2-carboxylicacid,tetrahydro-,(S)-, 51673-83-7, 105499-34-1,

Complexity	111
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	130.063g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	130.143g/mol
Monoisotopic Mass	130.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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