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Home > Other Heterocycles > 72445-21-7
72445-21-7 | 1,4-Dioxaspiro[4.5]dec-7-ene-8-methanol
CAS No: 72445-21-7 Catalog No: AG005THR MDL No:
Product Description
Catalog Number:
AG005THR
Chemical Name:
1,4-Dioxaspiro[4.5]dec-7-ene-8-methanol
CAS Number:
72445-21-7
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
1,4-dioxaspiro[4.5]dec-7-en-8-ylmethanol
InChI:
InChI=1S/C9H14O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h1,10H,2-7H2
InChI Key:
WIAIVFFTAUNKFV-UHFFFAOYSA-N
SMILES:
OCC1=CCC2(CC1)OCCO2
Properties
Complexity:
192
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:
1
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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