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81721-78-0 | 6-(2-PROPYNYL)-5H-INDENO[1,2-C]ISOQUINOLINE-5,11(6H)-DIONE
CAS No: 81721-78-0 Catalog No: AG0057RD MDL No:
Product Description
Catalog Number:
AG0057RD
Chemical Name:
6-(2-PROPYNYL)-5H-INDENO[1,2-C]ISOQUINOLINE-5,11(6H)-DIONE
CAS Number:
81721-78-0
Molecular Formula:
C19H11NO2
Molecular Weight:
285.2961
IUPAC Name:
6-prop-2-ynylindeno[1,2-c]isoquinoline-5,11-dione
InChI:
InChI=1S/C19H11NO2/c1-2-11-20-17-13-8-4-5-9-14(13)18(21)16(17)12-7-3-6-10-15(12)19(20)22/h1,3-10H,11H2
InChI Key:
UMRYKNVDLHXTAA-UHFFFAOYSA-N
SMILES:
C#CCn1c2c3ccccc3C(=O)c2c2c(c1=O)cccc2
NSC Number:
342609
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.302g/mol
Monoisotopic Mass:
285.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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