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1006686-08-3 | 1,4-Dioxaspiro[4.5]decane-8-carboxylic acid, 8-formyl-, ethyl ester
CAS No: 1006686-08-3 Catalog No: AG0002L6 MDL No:
Product Description
Catalog Number:
AG0002L6
Chemical Name:
1,4-Dioxaspiro[4.5]decane-8-carboxylic acid, 8-formyl-, ethyl ester
CAS Number:
1006686-08-3
Molecular Formula:
C12H18O5
Molecular Weight:
242.2683
IUPAC Name:
ethyl 8-formyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
InChI:
InChI=1S/C12H18O5/c1-2-15-10(14)11(9-13)3-5-12(6-4-11)16-7-8-17-12/h9H,2-8H2,1H3
InChI Key:
MKIVRVCORBPIQI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(C=O)CCC2(CC1)OCCO2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.271g/mol
Monoisotopic Mass:
242.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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