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Home > Indoles and Oxindole > 185738-37-8
185738-37-8 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(2-propynyloxy)phenyl]-
CAS No: 185738-37-8 Catalog No: AG007SWA MDL No:
Product Description
Catalog Number:
AG007SWA
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(2-propynyloxy)phenyl]-
CAS Number:
185738-37-8
Molecular Formula:
C17H11NO3
Molecular Weight:
277.2741
IUPAC Name:
2-(3-prop-2-ynoxyphenyl)isoindole-1,3-dione
InChI:
InChI=1S/C17H11NO3/c1-2-10-21-13-7-5-6-12(11-13)18-16(19)14-8-3-4-9-15(14)17(18)20/h1,3-9,11H,10H2
InChI Key:
STTXVQHFKFTKAA-UHFFFAOYSA-N
SMILES:
C#CCOc1cccc(c1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.279g/mol
Monoisotopic Mass:
277.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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