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122601-02-9 | Ethanone, 1-[2-(phenylamino)-1-cyclopenten-1-yl]-
CAS No: 122601-02-9 Catalog No: AG0017IW MDL No:
Product Description
Catalog Number:
AG0017IW
Chemical Name:
Ethanone, 1-[2-(phenylamino)-1-cyclopenten-1-yl]-
CAS Number:
122601-02-9
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
1-(2-anilinocyclopenten-1-yl)ethanone
InChI:
InChI=1S/C13H15NO/c1-10(15)12-8-5-9-13(12)14-11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-9H2,1H3
InChI Key:
MHODJDXADVJTFC-UHFFFAOYSA-N
SMILES:
CC(=O)C1=C(CCC1)Nc1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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