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Home > Other Heterocycles > 128242-44-4
128242-44-4 | 5,8-Dioxaspiro[3.4]oct-2-en-1-one, 3-(1-methylethoxy)-2-phenyl-
CAS No: 128242-44-4 Catalog No: AG000XVH MDL No:
Product Description
Catalog Number:
AG000XVH
Chemical Name:
5,8-Dioxaspiro[3.4]oct-2-en-1-one, 3-(1-methylethoxy)-2-phenyl-
CAS Number:
128242-44-4
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
2-phenyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
InChI:
InChI=1S/C15H16O4/c1-10(2)19-14-12(11-6-4-3-5-7-11)13(16)15(14)17-8-9-18-15/h3-7,10H,8-9H2,1-2H3
InChI Key:
MBGAPDCKNUVWDU-UHFFFAOYSA-N
SMILES:
CC(OC1=C(c2ccccc2)C(=O)C21OCCO2)C
Properties
Complexity:
398
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:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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