AG00ED1P

624734-17-4 | 3-methoxy-tetrahydropyran-4-one

AG00ED1P

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CAS Number	624734-17-4
Catalog Number	AG00ED1P(AGN-PC-006QK3)
Chemical Name	3-methoxy-tetrahydropyran-4-one
IUPAC Name	3-methoxyoxan-4-one
InChI	InChI=1S/C6H10O3/c1-8-6-4-9-3-2-5(6)7/h6H,2-4H2,1H3
InChI Key	YMJJPBWCARDMCG-UHFFFAOYSA-N
MDL Number	MFCD09909903
Molecular Formula	C6H10O3
Molecular Weight	130.1418
SMILES	O=C1C(OC)COCC1
Synonyms	624734-17-4, 3-METHOXY-TETRAHYDROPYRAN-4-ONE, 3-METHOXYOXAN-4-ONE, 3-methoxydihydro-2H-pyran-4(3H)-one, 3-METHOXYTETRAHYDRO-4H-PYRAN-4-ONE, (S)-3-Methoxytetrahydro-4H-pyran-4-one, 1464985-83-8, PubChem24387, SCHEMBL231167, 3-methoxytetrahydropyran-4-one, CTK5B5143, DTXSID60634789, 3-methoxy-tetrahydro-pyran-4-one, YMJJPBWCARDMCG-UHFFFAOYSA-N, KS-000003XL, MFCD09909903, AKOS006312452, tetrahydro-3-methoxy-4H-Pyran-4-one, DS-8945, PB17702, 3-Methoxydihydro-2H-pyran-4(3H);-one, 4H-Pyran-4-one, tetrahydro-3-methoxy-, AK165254, AB0094301, CS-0051285, FT-0696062, Q-2183, I14-20353, 2-ethyloxan-4-one, 36233-82-6,

Complexity	111
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	0
Isotope Atom Count	0
Molecular Weight	130.143g/mol
Monoisotopic Mass	130.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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