AG00DB5Y

51656-91-8 | Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate

AG00DB5Y

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CAS Number	51656-91-8
Catalog Number	AG00DB5Y(AGN-PC-0JQMOG)
Chemical Name	Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
IUPAC Name	ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
InChI	InChI=1S/C12H18O4/c1-2-14-11(13)9-10-3-5-12(6-4-10)15-7-8-16-12/h9H,2-8H2,1H3
InChI Key	UIWISFUVNHCOBJ-UHFFFAOYSA-N
MDL Number	MFCD07779434
Molecular Formula	C12H18O4
Molecular Weight	226.2689
NSC Number	649463
SMILES	O=C(OCC)/C=C(CC1)/CCC21OCCO2
Synonyms	51656-91-8, ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate, Ethyl 1,4-dioxaspiro[4.5]dec-8-ylideneacetate, NSC649463, AK130152, (1,4-Dioxa-spiro[4.5]dec-8-ylidene)-acetic acid ethyl ester, Aceticacid, 2-(1,4-dioxaspiro[4.5]dec-8-ylidene)-, ethyl ester, ETHYL 2-{1,4-DIOXASPIRO[4.5]DECAN-8-YLIDENE}ACETATE, AC1Q63GM, SCHEMBL337729, AC1L86I9, ethyl2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate, CHEMBL1992526, CTK4J4638, UIWISFUVNHCOBJ-UHFFFAOYSA-N, CS-M1349, KS-00001EK5, ZINC1631827, 3626AH, CE-527, MFCD07779434, DS-6600, FCH2815963, NSC-649463, OR46595, ACM51656918, AJ-28458, NCI60_017263, SC-29840, AX8220452, EN300-100965, Z-7878, ethyl 1,4-dioxaspiro[4,5]dec-8-ylideneacetate, Ethyl (1,4-dioxa-spiro[4.5]dec-8-ylidene)acetate, 8-ethoxycarbonylmethylidene-1,4-dioxaspiro[4.5]decane, (1,4-Dioxa-spiro4.5dec-8-ylidene)-acetic acid ethyl ester, (1,4-dioxaspiro[4.5]dec-8-ylidene)acetic acid ethyl ester, (1,4-dioxa-spiro[4.5]-dec-8-ylidene)-acetic acid ethyl ester, (1,4-DIOXA-SPIRO[4.5]DEC-8-YLIDENE)-ACETIC ACID ET, (1,4-Dioxa-spiro[4.5dec-8-ylidene)-acetic acid ethyl ester, Acetic acid, 1,4-dioxaspiro[4.5]dec-8-ylidene-, ethyl ester, C12H18O4, AR-1I7872, CID373318, 51947-89-8,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.121g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.272g/mol
Monoisotopic Mass	226.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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