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Home > Aldehydes > 141446-83-5
141446-83-5 | 1,4-Dioxa-7-thiaspiro[4.4]nonane-9-carboxaldehyde
CAS No: 141446-83-5 Catalog No: AG001GET MDL No:
Product Description
Catalog Number:
AG001GET
Chemical Name:
1,4-Dioxa-7-thiaspiro[4.4]nonane-9-carboxaldehyde
CAS Number:
141446-83-5
Molecular Formula:
C7H10O3S
Molecular Weight:
174.2175
IUPAC Name:
1,4-dioxa-7-thiaspiro[4.4]nonane-9-carbaldehyde
InChI:
InChI=1S/C7H10O3S/c8-3-6-4-11-5-7(6)9-1-2-10-7/h3,6H,1-2,4-5H2
InChI Key:
IBMGMNXVDFHEBZ-UHFFFAOYSA-N
SMILES:
O=CC1CSCC21OCCO2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.214g/mol
Monoisotopic Mass:
174.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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