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439117-54-1 | Cyclohexanone, 3-(2-methyl-1H-indol-3-yl)-
CAS No: 439117-54-1 Catalog No: AG0072VN MDL No:
Product Description
Catalog Number:
AG0072VN
Chemical Name:
Cyclohexanone, 3-(2-methyl-1H-indol-3-yl)-
CAS Number:
439117-54-1
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
IUPAC Name:
3-(2-methyl-1H-indol-3-yl)cyclohexan-1-one
InChI:
InChI=1S/C15H17NO/c1-10-15(11-5-4-6-12(17)9-11)13-7-2-3-8-14(13)16-10/h2-3,7-8,11,16H,4-6,9H2,1H3
InChI Key:
NGTKBKIGCMEKGR-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)c1c(C)[nH]c2c1cccc2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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