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89673-52-9 | 3-((4-(Pentyloxy)phenyl)methylene)phthalide
CAS No: 89673-52-9 Catalog No: AG0043HJ MDL No:
Product Description
Catalog Number:
AG0043HJ
Chemical Name:
3-((4-(Pentyloxy)phenyl)methylene)phthalide
CAS Number:
89673-52-9
Molecular Formula:
C20H20O3
Molecular Weight:
308.3710
IUPAC Name:
3-[(4-pentoxyphenyl)methylidene]-2-benzofuran-1-one
InChI:
InChI=1S/C20H20O3/c1-2-3-6-13-22-16-11-9-15(10-12-16)14-19-17-7-4-5-8-18(17)20(21)23-19/h4-5,7-12,14H,2-3,6,13H2,1H3
InChI Key:
UEZGZBJAHOFZAQ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)C=C1OC(=O)c2c1cccc2
EC Number:
289-515-1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.141g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.377g/mol
Monoisotopic Mass:
308.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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