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Home > Aldehydes > 120157-64-4
120157-64-4 | 1,4-Dioxaspiro[4.4]nonane-2-carboxaldehyde, (2R)-
CAS No: 120157-64-4 Catalog No: AG000QF4 MDL No:
Product Description
Catalog Number:
AG000QF4
Chemical Name:
1,4-Dioxaspiro[4.4]nonane-2-carboxaldehyde, (2R)-
CAS Number:
120157-64-4
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
InChI:
InChI=1S/C8H12O3/c9-5-7-6-10-8(11-7)3-1-2-4-8/h5,7H,1-4,6H2
InChI Key:
FXQLPHIRKYYRDF-UHFFFAOYSA-N
SMILES:
O=C[C@H]1COC2(O1)CCCC2
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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