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24730-88-9 | 1,4-Dioxaspiro[4.5]decane-8-carboxylic acid, 8-methyl-, ethyl ester
CAS No: 24730-88-9 Catalog No: AG002P9A MDL No:MFCD16036567
Product Description
Catalog Number:
AG002P9A
Chemical Name:
1,4-Dioxaspiro[4.5]decane-8-carboxylic acid, 8-methyl-, ethyl ester
CAS Number:
24730-88-9
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
MDL Number:
MFCD16036567
IUPAC Name:
ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
InChI:
InChI=1S/C12H20O4/c1-3-14-10(13)11(2)4-6-12(7-5-11)15-8-9-16-12/h3-9H2,1-2H3
InChI Key:
VFWAGFFGWYTECB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(C)CCC2(CC1)OCCO2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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