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Home > Indoles and Oxindole > 89070-54-2
89070-54-2 | 3-Buten-2-one, 1-(3-methyl-1H-indol-1-yl)-
CAS No: 89070-54-2 Catalog No: AG0040YL MDL No:
Product Description
Catalog Number:
AG0040YL
Chemical Name:
3-Buten-2-one, 1-(3-methyl-1H-indol-1-yl)-
CAS Number:
89070-54-2
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
1-(3-methylindol-1-yl)but-3-en-2-one
InChI:
InChI=1S/C13H13NO/c1-3-11(15)9-14-8-10(2)12-6-4-5-7-13(12)14/h3-8H,1,9H2,2H3
InChI Key:
BZMLLPDSRDYUSD-UHFFFAOYSA-N
SMILES:
C=CC(=O)Cn1cc(c2c1cccc2)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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