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144297-16-5 | 1,3-Dioxolan-4-one, 2-pentyl-5-phenyl-, trans- (9CI)
CAS No: 144297-16-5 Catalog No: AG001J9G MDL No:
Product Description
Catalog Number:
AG001J9G
Chemical Name:
1,3-Dioxolan-4-one, 2-pentyl-5-phenyl-, trans- (9CI)
CAS Number:
144297-16-5
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
2-pentyl-5-phenyl-1,3-dioxolan-4-one
InChI:
InChI=1S/C14H18O3/c1-2-3-5-10-12-16-13(14(15)17-12)11-8-6-4-7-9-11/h4,6-9,12-13H,2-3,5,10H2,1H3
InChI Key:
GVRKMZIREJWKQF-UHFFFAOYSA-N
SMILES:
CCCCC[C@H]1OC(=O)[C@@H](O1)c1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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