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1211588-37-2 | 3-(pyridin-4-yl)cyclobutan-1-one
CAS No: 1211588-37-2 Catalog No: AG01AMT0 MDL No:MFCD18260160
Product Description
Catalog Number:
AG01AMT0
Chemical Name:
3-(pyridin-4-yl)cyclobutan-1-one
CAS Number:
1211588-37-2
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD18260160
IUPAC Name:
3-pyridin-4-ylcyclobutan-1-one
InChI:
InChI=1S/C9H9NO/c11-9-5-8(6-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2
InChI Key:
FPVXFPOPIJDSQA-UHFFFAOYSA-N
SMILES:
O=C1CC(C1)c1ccncc1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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