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30683-28-4 | 1(3H)-Isobenzofuranone, 3-(3-propyl-1H-indol-1-yl)-
CAS No: 30683-28-4 Catalog No: AG0030SO MDL No:
Product Description
Catalog Number:
AG0030SO
Chemical Name:
1(3H)-Isobenzofuranone, 3-(3-propyl-1H-indol-1-yl)-
CAS Number:
30683-28-4
Molecular Formula:
C19H17NO2
Molecular Weight:
291.3438
IUPAC Name:
3-(3-propylindol-1-yl)-3H-2-benzofuran-1-one
InChI:
InChI=1S/C19H17NO2/c1-2-7-13-12-20(17-11-6-5-8-14(13)17)18-15-9-3-4-10-16(15)19(21)22-18/h3-6,8-12,18H,2,7H2,1H3
InChI Key:
LPTZNUAVYYEXQN-UHFFFAOYSA-N
SMILES:
CCCc1cn(c2c1cccc2)C1OC(=O)c2c1cccc2
NSC Number:
140659
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.35g/mol
Monoisotopic Mass:
291.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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