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922139-24-0 | 2-Butanone, 3-methylene-4-(1-methyl-1H-indol-3-yl)-
CAS No: 922139-24-0 Catalog No: AG006FNN MDL No:
Product Description
Catalog Number:
AG006FNN
Chemical Name:
2-Butanone, 3-methylene-4-(1-methyl-1H-indol-3-yl)-
CAS Number:
922139-24-0
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
IUPAC Name:
3-[(1-methylindol-3-yl)methyl]but-3-en-2-one
InChI:
InChI=1S/C14H15NO/c1-10(11(2)16)8-12-9-15(3)14-7-5-4-6-13(12)14/h4-7,9H,1,8H2,2-3H3
InChI Key:
WJNDNHRXRIWTHU-UHFFFAOYSA-N
SMILES:
CC(=O)C(=C)Cc1cn(c2c1cccc2)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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