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Home > Other Heterocycles > 918942-90-2
918942-90-2 | 1,6-Dioxaspiro[4.5]dec-2-en-4-one, 2-(4-methoxyphenyl)-
CAS No: 918942-90-2 Catalog No: AG006LRO MDL No:
Product Description
Catalog Number:
AG006LRO
Chemical Name:
1,6-Dioxaspiro[4.5]dec-2-en-4-one, 2-(4-methoxyphenyl)-
CAS Number:
918942-90-2
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
2-(4-methoxyphenyl)-1,10-dioxaspiro[4.5]dec-2-en-4-one
InChI:
InChI=1S/C15H16O4/c1-17-12-6-4-11(5-7-12)13-10-14(16)15(19-13)8-2-3-9-18-15/h4-7,10H,2-3,8-9H2,1H3
InChI Key:
IBJKLALJNOEYQQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=CC(=O)C2(O1)CCCCO2
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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