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Home > Other Heterocycles > 138797-51-0
138797-51-0 | 1,6-Dioxaspiro[4.5]decan-8-ol, 2-(2,4-hexadiynylidene)-, (Z)- (9CI)
CAS No: 138797-51-0 Catalog No: AG0019KW MDL No:
Product Description
Catalog Number:
AG0019KW
Chemical Name:
1,6-Dioxaspiro[4.5]decan-8-ol, 2-(2,4-hexadiynylidene)-, (Z)- (9CI)
CAS Number:
138797-51-0
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]decan-8-ol
InChI:
InChI=1S/C14H16O3/c1-2-3-4-5-6-13-8-10-14(17-13)9-7-12(15)11-16-14/h6,12,15H,7-11H2,1H3
InChI Key:
QYRAXKUUMXNIRJ-UHFFFAOYSA-N
SMILES:
CC#CC#C/C=C\1/CCC2(O1)CCC(CO2)O
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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