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69002-55-7 | 1,4-Dioxaspiro[4.4]nonane-7-carboxaldehyde, 9,9-dimethyl-
CAS No: 69002-55-7 Catalog No: AG005ZB6 MDL No:
Product Description
Catalog Number:
AG005ZB6
Chemical Name:
1,4-Dioxaspiro[4.4]nonane-7-carboxaldehyde, 9,9-dimethyl-
CAS Number:
69002-55-7
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
9,9-dimethyl-1,4-dioxaspiro[4.4]nonane-7-carbaldehyde
InChI:
InChI=1S/C10H16O3/c1-9(2)5-8(7-11)6-10(9)12-3-4-13-10/h7-8H,3-6H2,1-2H3
InChI Key:
DRDMFMDUAOGCSN-UHFFFAOYSA-N
SMILES:
O=CC1CC(C2(C1)OCCO2)(C)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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