AG00DL22

52506-21-5 | Methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

AG00DL22

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CAS Number	52506-21-5
Catalog Number	AG00DL22(AGN-PC-0K98HD)
Chemical Name	Methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
IUPAC Name	methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
InChI	InChI=1S/C10H14O5/c1-13-9(12)7-6-10(3-2-8(7)11)14-4-5-15-10/h7H,2-6H2,1H3
InChI Key	HDBHPQJOSZBECI-UHFFFAOYSA-N
MDL Number	MFCD03271523
Molecular Formula	C10H14O5
Molecular Weight	214.2152
SMILES	O=C(C(C(CC1)=O)CC21OCCO2)OC
Synonyms	methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate, 52506-21-5, AC1N3KAT, SCHEMBL1528558, CTK1G2543, DTXSID50399173, HDBHPQJOSZBECI-UHFFFAOYSA-N, 8-Oxo-1,4-dioxaspiro[4.5]decane-7-carboxylic acid methyl ester, MFCD03271523, AKOS025395939, MCULE-2042205296, PS-11233, AN-907/40847994, Methyl 8-oxo-1,4-dioxa-spiro[4.5]decane-7-carboxylate, methyl 8-oxo-1,4-dioxaspiro[4.5]decane-9-carboxylate, Z2787257550, 1,4-Dioxaspiro[4.5]decane-7-carboxylic acid, 8-oxo-, methyl ester, ZINC02150802, CID4088708,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.084g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.217g/mol
Monoisotopic Mass	214.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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