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143943-15-1 | 1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(pentyloxy)-
CAS No: 143943-15-1 Catalog No: AG001IMZ MDL No:
Product Description
Catalog Number:
AG001IMZ
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(pentyloxy)-
CAS Number:
143943-15-1
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
2-hydroxy-2-pentoxyindene-1,3-dione
InChI:
InChI=1S/C14H16O4/c1-2-3-6-9-18-14(17)12(15)10-7-4-5-8-11(10)13(14)16/h4-5,7-8,17H,2-3,6,9H2,1H3
InChI Key:
DJTPTMYLHKNSFN-UHFFFAOYSA-N
SMILES:
CCCCCOC1(O)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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