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88187-86-4 | 2-Pentanone, 4-[(4-ethoxyphenyl)amino]-4-methyl-
CAS No: 88187-86-4 Catalog No: AG004DZ8 MDL No:
Product Description
Catalog Number:
AG004DZ8
Chemical Name:
2-Pentanone, 4-[(4-ethoxyphenyl)amino]-4-methyl-
CAS Number:
88187-86-4
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
4-(4-ethoxyanilino)-4-methylpentan-2-one
InChI:
InChI=1S/C14H21NO2/c1-5-17-13-8-6-12(7-9-13)15-14(3,4)10-11(2)16/h6-9,15H,5,10H2,1-4H3
InChI Key:
YQQCEKSGWZBSSE-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(CC(=O)C)(C)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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