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Home > Other Heterocycles > 229330-50-1
229330-50-1 | 1-Oxaspiro[2.4]heptane-2-methanol
CAS No: 229330-50-1 Catalog No: AG002LJP MDL No:
Product Description
Catalog Number:
AG002LJP
Chemical Name:
1-Oxaspiro[2.4]heptane-2-methanol
CAS Number:
229330-50-1
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
1-oxaspiro[2.4]heptan-2-ylmethanol
InChI:
InChI=1S/C7H12O2/c8-5-6-7(9-6)3-1-2-4-7/h6,8H,1-5H2
InChI Key:
YBFNAIRUPOFXGX-UHFFFAOYSA-N
SMILES:
OCC1OC21CCCC2
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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