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Home > Other Heterocycles > 87970-22-7
87970-22-7 | 1,5-Dioxaspiro[5.5]undecane-3-propanal
CAS No: 87970-22-7 Catalog No: AG004LYF MDL No:
Product Description
Catalog Number:
AG004LYF
Chemical Name:
1,5-Dioxaspiro[5.5]undecane-3-propanal
CAS Number:
87970-22-7
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
3-(1,5-dioxaspiro[5.5]undecan-3-yl)propanal
InChI:
InChI=1S/C12H20O3/c13-8-4-5-11-9-14-12(15-10-11)6-2-1-3-7-12/h8,11H,1-7,9-10H2
InChI Key:
BVFDLZUKRMVYNI-UHFFFAOYSA-N
SMILES:
O=CCCC1COC2(OC1)CCCCC2
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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