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Home > Indoles and Oxindole > 830925-12-7
830925-12-7 | 1H-Benz[f]indole-4,9-dione, 2-(1-butynyl)-1-methyl-
CAS No: 830925-12-7 Catalog No: AG005C6F MDL No:
Product Description
Catalog Number:
AG005C6F
Chemical Name:
1H-Benz[f]indole-4,9-dione, 2-(1-butynyl)-1-methyl-
CAS Number:
830925-12-7
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
2-but-1-ynyl-1-methylbenzo[f]indole-4,9-dione
InChI:
InChI=1S/C17H13NO2/c1-3-4-7-11-10-14-15(18(11)2)17(20)13-9-6-5-8-12(13)16(14)19/h5-6,8-10H,3H2,1-2H3
InChI Key:
WUYXKMYYQAKXHA-UHFFFAOYSA-N
SMILES:
CCC#Cc1cc2c(n1C)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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