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Home > Other Heterocycles > 84298-14-6
84298-14-6 | 1,4,6-Trioxaspiro[4.4]nonane-2-methanol
CAS No: 84298-14-6 Catalog No: AG0056NZ MDL No:
Product Description
Catalog Number:
AG0056NZ
Chemical Name:
1,4,6-Trioxaspiro[4.4]nonane-2-methanol
CAS Number:
84298-14-6
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
1,4,6-trioxaspiro[4.4]nonan-3-ylmethanol
InChI:
InChI=1S/C7H12O4/c8-4-6-5-10-7(11-6)2-1-3-9-7/h6,8H,1-5H2
InChI Key:
NVZXHWILFYOUIQ-UHFFFAOYSA-N
SMILES:
OCC1COC2(O1)CCCO2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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