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89059-08-5 | 2-Butanone, 1-diazo-4-(3-methyl-1H-indol-1-yl)-
CAS No: 89059-08-5 Catalog No: AG0041LI MDL No:
Product Description
Catalog Number:
AG0041LI
Chemical Name:
2-Butanone, 1-diazo-4-(3-methyl-1H-indol-1-yl)-
CAS Number:
89059-08-5
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
IUPAC Name:
1-diazo-4-(3-methylindol-1-yl)butan-2-one
InChI:
InChI=1S/C13H13N3O/c1-10-9-16(7-6-11(17)8-15-14)13-5-3-2-4-12(10)13/h2-5,8-9H,6-7H2,1H3
InChI Key:
WAKGTAMIPOUPED-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)CCn1cc(c2c1cccc2)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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