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113430-78-7 | 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 9-methyl-, methyl ester
CAS No: 113430-78-7 Catalog No: AG0008JW MDL No:
Product Description
Catalog Number:
AG0008JW
Chemical Name:
1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 9-methyl-, methyl ester
CAS Number:
113430-78-7
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
IUPAC Name:
methyl 9-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
InChI:
InChI=1S/C11H18O4/c1-8-3-4-9(10(12)13-2)11(7-8)14-5-6-15-11/h8-9H,3-7H2,1-2H3
InChI Key:
RHZVJXXQLUVMIR-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(CC21OCCO2)C
Properties
Complexity:
245
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:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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