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Home > Other Heterocycles > 107986-51-6
107986-51-6 | 1-Oxaspiro[4.4]non-3-en-2-one, 3,4-dihydroxy-
CAS No: 107986-51-6 Catalog No: AG007DOQ MDL No:
Product Description
Catalog Number:
AG007DOQ
Chemical Name:
1-Oxaspiro[4.4]non-3-en-2-one, 3,4-dihydroxy-
CAS Number:
107986-51-6
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
IUPAC Name:
3,4-dihydroxy-1-oxaspiro[4.4]non-3-en-2-one
InChI:
InChI=1S/C8H10O4/c9-5-6(10)8(12-7(5)11)3-1-2-4-8/h9-10H,1-4H2
InChI Key:
VMXRYFLXJONWCS-UHFFFAOYSA-N
SMILES:
O=C1OC2(C(=C1O)O)CCCC2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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