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93245-98-8 | 1,4-Dioxaspiro[4.5]decane-8-carbaldehyde
CAS No: 93245-98-8 Catalog No: AG003DP0 MDL No:MFCD11847774
Product Description
Catalog Number:
AG003DP0
Chemical Name:
1,4-Dioxaspiro[4.5]decane-8-carbaldehyde
CAS Number:
93245-98-8
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD11847774
IUPAC Name:
1,4-dioxaspiro[4.5]decane-8-carbaldehyde
InChI:
InChI=1S/C9H14O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h7-8H,1-6H2
InChI Key:
HFBULKBCEFQYCJ-UHFFFAOYSA-N
SMILES:
O=CC1CCC2(CC1)OCCO2
Properties
Complexity:
163
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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