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113378-80-6 | 1H-Indene-1,3(2H)-dione, 2-[3-(4-hydroxyphenyl)propyl]-
CAS No: 113378-80-6 Catalog No: AG0008DE MDL No:
Product Description
Catalog Number:
AG0008DE
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-[3-(4-hydroxyphenyl)propyl]-
CAS Number:
113378-80-6
Molecular Formula:
C18H16O3
Molecular Weight:
280.3178
IUPAC Name:
2-[3-(4-hydroxyphenyl)propyl]indene-1,3-dione
InChI:
InChI=1S/C18H16O3/c19-13-10-8-12(9-11-13)4-3-7-16-17(20)14-5-1-2-6-15(14)18(16)21/h1-2,5-6,8-11,16,19H,3-4,7H2
InChI Key:
SZRXGZLYOMEPBX-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)CCCC1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.323g/mol
Monoisotopic Mass:
280.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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