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119728-97-1 | 1,4-Dioxaspiro[4.4]non-6-ene-7-carboxaldehyde
CAS No: 119728-97-1 Catalog No: AG000PKM MDL No:
Product Description
Catalog Number:
AG000PKM
Chemical Name:
1,4-Dioxaspiro[4.4]non-6-ene-7-carboxaldehyde
CAS Number:
119728-97-1
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
IUPAC Name:
1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde
InChI:
InChI=1S/C8H10O3/c9-6-7-1-2-8(5-7)10-3-4-11-8/h5-6H,1-4H2
InChI Key:
IYIRPDXGYOYEAL-UHFFFAOYSA-N
SMILES:
O=CC1=CC2(CC1)OCCO2
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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