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Home > Other Heterocycles > 2060050-45-3
2060050-45-3 | {2,7-dioxaspiro[4.5]decan-3-yl}methanol
CAS No: 2060050-45-3 Catalog No: AG01BRD8 MDL No:MFCD30502465
Product Description
Catalog Number:
AG01BRD8
Chemical Name:
{2,7-dioxaspiro[4.5]decan-3-yl}methanol
CAS Number:
2060050-45-3
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD30502465
IUPAC Name:
2,9-dioxaspiro[4.5]decan-3-ylmethanol
InChI:
InChI=1S/C9H16O3/c10-5-8-4-9(7-12-8)2-1-3-11-6-9/h8,10H,1-7H2
InChI Key:
GPSHMLBXTARJOS-UHFFFAOYSA-N
SMILES:
OCC1OCC2(C1)CCCOC2
Properties
Complexity:
160
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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