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88664-54-4 | 1,6-Dioxaspiro[4.4]nonane-2-carboxaldehyde, 2-methyl-
CAS No: 88664-54-4 Catalog No: AG0048DF MDL No:
Product Description
Catalog Number:
AG0048DF
Chemical Name:
1,6-Dioxaspiro[4.4]nonane-2-carboxaldehyde, 2-methyl-
CAS Number:
88664-54-4
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
2-methyl-1,6-dioxaspiro[4.4]nonane-2-carbaldehyde
InChI:
InChI=1S/C9H14O3/c1-8(7-10)4-5-9(12-8)3-2-6-11-9/h7H,2-6H2,1H3
InChI Key:
IZADNTJCOHOYNB-UHFFFAOYSA-N
SMILES:
O=CC1(C)CCC2(O1)CCCO2
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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