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87995-59-3 | 2-Butanone, 3,3-dimethyl-1-(phenylamino)-
CAS No: 87995-59-3 Catalog No: AG004H99 MDL No:
Product Description
Catalog Number:
AG004H99
Chemical Name:
2-Butanone, 3,3-dimethyl-1-(phenylamino)-
CAS Number:
87995-59-3
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
1-anilino-3,3-dimethylbutan-2-one
InChI:
InChI=1S/C12H17NO/c1-12(2,3)11(14)9-13-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
InChI Key:
LWJOKNYQKIESSL-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)CNc1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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