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88125-30-8 | 3-Pentanone, 1-[(2,6-dimethylphenyl)imino]-4,4-dimethyl-
CAS No: 88125-30-8 Catalog No: AG004IG4 MDL No:
Product Description
Catalog Number:
AG004IG4
Chemical Name:
3-Pentanone, 1-[(2,6-dimethylphenyl)imino]-4,4-dimethyl-
CAS Number:
88125-30-8
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
1-(2,6-dimethylphenyl)imino-4,4-dimethylpentan-3-one
InChI:
InChI=1S/C15H21NO/c1-11-7-6-8-12(2)14(11)16-10-9-13(17)15(3,4)5/h6-8,10H,9H2,1-5H3
InChI Key:
YRTUGGDGRSCQML-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)CC=Nc1c(C)cccc1C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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