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53873-01-1 | 3,3-dimethyl-1-(pyridin-3-yl)butan-2-one
CAS No: 53873-01-1 Catalog No: AG01A5LA MDL No:MFCD16786215
Product Description
Catalog Number:
AG01A5LA
Chemical Name:
3,3-dimethyl-1-(pyridin-3-yl)butan-2-one
CAS Number:
53873-01-1
MDL Number:
MFCD16786215
IUPAC Name:
3,3-dimethyl-1-pyridin-3-ylbutan-2-one
InChI:
InChI=1S/C11H15NO/c1-11(2,3)10(13)7-9-5-4-6-12-8-9/h4-6,8H,7H2,1-3H3
InChI Key:
WLHJJJIIBZZBTP-UHFFFAOYSA-N
Properties
Complexity:
181
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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