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Home > Other Heterocycles > 918495-51-9
918495-51-9 | 1,4-Dioxaspiro[4.5]deca-6,9-dien-8-ol, 8-(2-propyn-1-yl)-
CAS No: 918495-51-9 Catalog No: AG006E6B MDL No:
Product Description
Catalog Number:
AG006E6B
Chemical Name:
1,4-Dioxaspiro[4.5]deca-6,9-dien-8-ol, 8-(2-propyn-1-yl)-
CAS Number:
918495-51-9
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
8-prop-2-ynyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol
InChI:
InChI=1S/C11H12O3/c1-2-3-10(12)4-6-11(7-5-10)13-8-9-14-11/h1,4-7,12H,3,8-9H2
InChI Key:
WHESJLQMZBAIOF-UHFFFAOYSA-N
SMILES:
C#CCC1(O)C=CC2(C=C1)OCCO2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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