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Home > Other Heterocycles > 76626-10-3
76626-10-3 | 1,5-Dioxaspiro[5.5]undecan-9-ol
CAS No: 76626-10-3 Catalog No: AG005JA6 MDL No:
Product Description
Catalog Number:
AG005JA6
Chemical Name:
1,5-Dioxaspiro[5.5]undecan-9-ol
CAS Number:
76626-10-3
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
1,5-dioxaspiro[5.5]undecan-9-ol
InChI:
InChI=1S/C9H16O3/c10-8-2-4-9(5-3-8)11-6-1-7-12-9/h8,10H,1-7H2
InChI Key:
ZFWZLNKEOHMKMN-UHFFFAOYSA-N
SMILES:
OC1CCC2(CC1)OCCCO2
Properties
Complexity:
142
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:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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