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Home > Other Heterocycles > 918942-89-9
918942-89-9 | 1,6-Dioxaspiro[4.5]dec-2-en-4-one, 2-[(1E)-2-phenylethenyl]-
CAS No: 918942-89-9 Catalog No: AG006LRP MDL No:
Product Description
Catalog Number:
AG006LRP
Chemical Name:
1,6-Dioxaspiro[4.5]dec-2-en-4-one, 2-[(1E)-2-phenylethenyl]-
CAS Number:
918942-89-9
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
2-(2-phenylethenyl)-1,10-dioxaspiro[4.5]dec-2-en-4-one
InChI:
InChI=1S/C16H16O3/c17-15-12-14(9-8-13-6-2-1-3-7-13)19-16(15)10-4-5-11-18-16/h1-3,6-9,12H,4-5,10-11H2
InChI Key:
XECZYIFRQHAECH-UHFFFAOYSA-N
SMILES:
O=C1C=C(OC21CCCCO2)/C=C/c1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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