AG003DP0

93245-98-8 | 1,4-dioxaspiro[4.5]decane-8-carbaldehyde

AG003DP0

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CAS Number	93245-98-8
Catalog Number	AG003DP0(AGN-PC-0MVCHL)
Chemical Name	1,4-dioxaspiro[4.5]decane-8-carbaldehyde
IUPAC Name	1,4-dioxaspiro[4.5]decane-8-carbaldehyde
InChI	InChI=1S/C9H14O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h7-8H,1-6H2
InChI Key	HFBULKBCEFQYCJ-UHFFFAOYSA-N
MDL Number	MFCD11847774
Molecular Formula	C9H14O3
Molecular Weight	170.2057
SMILES	O=CC(CC1)CCC21OCCO2
Synonyms	1,4-dioxaspiro[4.5]decane-8-carbaldehyde, 93245-98-8, 1,4-Dioxaspiro[4.5]decane-8-carboxaldehyde, 1,4-Dioxa-spiro[4.5]decane-8-carbaldehyde, ACMC-20ac7t, SCHEMBL87185, CTK8C1480, DTXSID40432508, HFBULKBCEFQYCJ-UHFFFAOYSA-N, 5777AC, ANW-66759, MFCD11847774, ZINC34016852, AKOS015855813, TRA0000905, KS-000001I9, AJ-86625, AS-44816, CJ-18147, SC-14621, 1,4-dioxaspiro[4,5]decane-8-carbaldehyde, 4,4-(ethylenedioxy)cyclohexane carbaldehyde, TC-063747, TC-155504, 1,4-dioxaspiro-[4.5]decane-8-carbaldehyde, AM20120676, 1,4-dioxa-spiro-[4.5]decane-8-carbaldehyde, 1,4-dioxa-spiro[4.5]decane-8-carboxaldehyde, A1-03134, F8888-7350, C9H14O3, CID9898947,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.094g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.208g/mol
Monoisotopic Mass	170.094g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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