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13747-72-3 | 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, ethyl ester
CAS No: 13747-72-3 Catalog No: AG0013CD MDL No:MFCD22124952
Product Description
Catalog Number:
AG0013CD
Chemical Name:
1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, ethyl ester
CAS Number:
13747-72-3
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
MDL Number:
MFCD22124952
IUPAC Name:
ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate
InChI:
InChI=1S/C11H18O4/c1-2-13-10(12)9-5-3-4-6-11(9)14-7-8-15-11/h9H,2-8H2,1H3
InChI Key:
QMFOXYVOKMOHCN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCCC21OCCO2
NSC Number:
348922
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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