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Home > Indoles and Oxindole > 121195-69-5
121195-69-5 | Pyrido[2,1-a]isoindole-6-carbonitrile, 2-(acetyloxy)-
CAS No: 121195-69-5 Catalog No: AG007P4G MDL No:
Product Description
Catalog Number:
AG007P4G
Chemical Name:
Pyrido[2,1-a]isoindole-6-carbonitrile, 2-(acetyloxy)-
CAS Number:
121195-69-5
Molecular Formula:
C15H10N2O2
Molecular Weight:
250.2521
IUPAC Name:
(6-cyanopyrido[2,1-a]isoindol-2-yl) acetate
InChI:
InChI=1S/C15H10N2O2/c1-10(18)19-11-6-7-17-14(8-11)12-4-2-3-5-13(12)15(17)9-16/h2-8H,1H3
InChI Key:
UROHEAGLTZXTFE-UHFFFAOYSA-N
SMILES:
N#Cc1c2ccccc2c2n1ccc(c2)OC(=O)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.257g/mol
Monoisotopic Mass:
250.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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