AG00HA66

1037175-81-7 | Methyl 5,8-dioxaspiro[3.4]octane-2-carboxylate

AG00HA66

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CAS Number	1037175-81-7
Catalog Number	AG00HA66(AGN-PC-0WBSKG)
Chemical Name	Methyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
IUPAC Name	methyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
InChI	InChI=1S/C8H12O4/c1-10-7(9)6-4-8(5-6)11-2-3-12-8/h6H,2-5H2,1H3
InChI Key	BBIJGBVAQMCCEV-UHFFFAOYSA-N
MDL Number	MFCD23106444
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	O=C(C1CC2(OCCO2)C1)OC
Synonyms	methyl 5,8-dioxaspiro[3.4]octane-2-carboxylate, 1037175-81-7, Methyl 5,8-dioxa-spiro[3.4]octane-2-carboxylate, SCHEMBL16820690, MFCD23106444, ZINC95644218, AKOS025290891, FCH2311338, PB35230, SB10862, AK170826, AS-33865, CS-0049019, KS-00000454, Methyl 5,8-dioxa-spiro[3.4]octane-2-carboxylate, AldrichCPR,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

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