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Home > Other Heterocycles > 1864407-98-6
1864407-98-6 | {1,8-dioxaspiro[4.5]decan-2-yl}methanol
CAS No: 1864407-98-6 Catalog No: AG01BUUI MDL No:MFCD30476182
Product Description
Catalog Number:
AG01BUUI
Chemical Name:
{1,8-dioxaspiro[4.5]decan-2-yl}methanol
CAS Number:
1864407-98-6
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD30476182
IUPAC Name:
1,8-dioxaspiro[4.5]decan-2-ylmethanol
InChI:
InChI=1S/C9H16O3/c10-7-8-1-2-9(12-8)3-5-11-6-4-9/h8,10H,1-7H2
InChI Key:
VIPUPSZLONVDBH-UHFFFAOYSA-N
SMILES:
OCC1CCC2(O1)CCOCC2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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