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Home > Other Heterocycles > 192213-16-4
192213-16-4 | 1-Oxaspiro[3.5]nonan-2-one, 3-(1,2-dimethoxy-2-phenylethenyl)-
CAS No: 192213-16-4 Catalog No: AG002FRA MDL No:
Product Description
Catalog Number:
AG002FRA
Chemical Name:
1-Oxaspiro[3.5]nonan-2-one, 3-(1,2-dimethoxy-2-phenylethenyl)-
CAS Number:
192213-16-4
Molecular Formula:
C18H22O4
Molecular Weight:
302.3649
IUPAC Name:
3-(1,2-dimethoxy-2-phenylethenyl)-1-oxaspiro[3.5]nonan-2-one
InChI:
InChI=1S/C18H22O4/c1-20-15(13-9-5-3-6-10-13)16(21-2)14-17(19)22-18(14)11-7-4-8-12-18/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3
InChI Key:
OPEHKMISPRICOW-UHFFFAOYSA-N
SMILES:
COC(=C(c1ccccc1)OC)C1C(=O)OC21CCCCC2
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.37g/mol
Monoisotopic Mass:
302.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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