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50257-98-2 | 1,6-Dioxaspiro[4.4]non-3-ene, 2-(2,4-hexadiynylidene)-, (E)-
CAS No: 50257-98-2 Catalog No: AG006VJP MDL No:
Product Description
Catalog Number:
AG006VJP
Chemical Name:
1,6-Dioxaspiro[4.4]non-3-ene, 2-(2,4-hexadiynylidene)-, (E)-
CAS Number:
50257-98-2
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
IUPAC Name:
2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
InChI:
InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3
InChI Key:
WTRXKCNFPMTAJV-UHFFFAOYSA-N
SMILES:
CC#CC#C/C=C/1\C=CC2(O1)CCCO2
EC Number:
240-885-2
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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