AG00FS2T

693245-80-6 | 2H-Pyran-3(4H)-one,dihydro-4,4-dimethoxy-(9CI)

AG00FS2T

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CAS Number	693245-80-6
Catalog Number	AG00FS2T(AGN-PC-00HEU9)
Chemical Name	2H-Pyran-3(4H)-one,dihydro-4,4-dimethoxy-(9CI)
IUPAC Name	4,4-dimethoxyoxan-3-one
InChI	InChI=1S/C7H12O4/c1-9-7(10-2)3-4-11-5-6(7)8/h3-5H2,1-2H3
InChI Key	VSYYQDBTLGSLRK-UHFFFAOYSA-N
MDL Number	MFCD18814922
Molecular Formula	C7H12O4
Molecular Weight	160.1678
SMILES	O=C1COCCC1(OC)OC
Synonyms	693245-80-6, 4,4-dimethoxyoxan-3-one, 4,4-DIMETHOXYTETRAHYDROPYRAN-3-ONE, 4,4-DIMETHOXYDIHYDRO-2H-PYRAN-3(4H)-ONE, SCHEMBL1710129, VSYYQDBTLGSLRK-UHFFFAOYSA-N, KS-000007OL, MFCD18814922, ZINC36475538, AKOS025289858, PB16838, AS-51350, DA-17692, CS-0051118, FT-0758560, 2H-Pyran-3(4H)-one, dihydro-4,4-dimethoxy-, Q-2127, 4,4-Dimethoxytetrahydropyran-3-one, AldrichCPR, 4,4-dimethoxy-5,6-dihydro-2H-pyran-3(4H)-one, 2H-Pyran-3(4H)-one,dihydro-4,4-dimethoxy-(9CI), DIHYDRO-4,4-DIMETHOXY-2H-PYRAN-3(4H)-ONE, CID11848643, 2H-Pyran-3(4H)-one, dihydro-4,4-dimethoxy- (9CI),

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.169g/mol
Monoisotopic Mass	160.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.8A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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