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Home > Indoles and Oxindole > 21973-02-4
21973-02-4 | 2-Pentanone, 4-(1H-indol-3-yl)-4-methyl-
CAS No: 21973-02-4 Catalog No: AG006Y80 MDL No:MFCD10035380
Product Description
Catalog Number:
AG006Y80
Chemical Name:
2-Pentanone, 4-(1H-indol-3-yl)-4-methyl-
CAS Number:
21973-02-4
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
MDL Number:
MFCD10035380
IUPAC Name:
4-(1H-indol-3-yl)-4-methylpentan-2-one
InChI:
InChI=1S/C14H17NO/c1-10(16)8-14(2,3)12-9-15-13-7-5-4-6-11(12)13/h4-7,9,15H,8H2,1-3H3
InChI Key:
PKLAFFRDVJBJKV-UHFFFAOYSA-N
SMILES:
CC(=O)CC(c1c[nH]c2c1cccc2)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.296g/mol
Monoisotopic Mass:
215.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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