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847200-99-1 | 1H-Isoindole-1,3(2H)-dione, 2-[4-(4-hydroxyphenyl)butyl]-
CAS No: 847200-99-1 Catalog No: AG004SDI MDL No:
Product Description
Catalog Number:
AG004SDI
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[4-(4-hydroxyphenyl)butyl]-
CAS Number:
847200-99-1
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
2-[4-(4-hydroxyphenyl)butyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H17NO3/c20-14-10-8-13(9-11-14)5-3-4-12-19-17(21)15-6-1-2-7-16(15)18(19)22/h1-2,6-11,20H,3-5,12H2
InChI Key:
RLQSXHCAMRFKEL-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)CCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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