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Home > Aldehydes > 918902-01-9
918902-01-9 | 7,8,12-Trioxaspiro[5.6]dodecane-9-carboxaldehyde, 9-methyl-
CAS No: 918902-01-9 Catalog No: AG006M8M MDL No:
Product Description
Catalog Number:
AG006M8M
Chemical Name:
7,8,12-Trioxaspiro[5.6]dodecane-9-carboxaldehyde, 9-methyl-
CAS Number:
918902-01-9
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
IUPAC Name:
9-methyl-7,8,12-trioxaspiro[5.6]dodecane-9-carbaldehyde
InChI:
InChI=1S/C11H18O4/c1-10(9-12)7-8-13-11(15-14-10)5-3-2-4-6-11/h9H,2-8H2,1H3
InChI Key:
MKBJSYZFTGXSJB-UHFFFAOYSA-N
SMILES:
O=CC1(C)CCOC2(OO1)CCCCC2
Properties
Complexity:
235
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:
1
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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