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6311-86-0 | 3,3-dimethyl-1-(pyridin-4-yl)butan-2-one
CAS No: 6311-86-0 Catalog No: AG01A4CX MDL No:MFCD16786374
Product Description
Catalog Number:
AG01A4CX
Chemical Name:
3,3-dimethyl-1-(pyridin-4-yl)butan-2-one
CAS Number:
6311-86-0
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD16786374
IUPAC Name:
3,3-dimethyl-1-pyridin-4-ylbutan-2-one
InChI:
InChI=1S/C11H15NO/c1-11(2,3)10(13)8-9-4-6-12-7-5-9/h4-7H,8H2,1-3H3
InChI Key:
LHLKBBIYRNFVSS-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Cc1ccncc1
NSC Number:
42640
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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