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Home > Other Heterocycles > 137819-42-2
137819-42-2 | 1,4-Dioxaspiro[4.5]dec-6-ene-7-methanol, 8-hydroxy-, (R)- (9CI)
CAS No: 137819-42-2 Catalog No: AG0013VY MDL No:
Product Description
Catalog Number:
AG0013VY
Chemical Name:
1,4-Dioxaspiro[4.5]dec-6-ene-7-methanol, 8-hydroxy-, (R)- (9CI)
CAS Number:
137819-42-2
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
InChI:
InChI=1S/C9H14O4/c10-6-7-5-9(2-1-8(7)11)12-3-4-13-9/h5,8,10-11H,1-4,6H2
InChI Key:
KRVUGFVBCUTCCJ-UHFFFAOYSA-N
SMILES:
OCC1=CC2(OCCO2)CC[C@H]1O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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