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79251-07-3 | 3-methyl-1-(pyridin-4-yl)butan-1-one
CAS No: 79251-07-3 Catalog No: AG01C55M MDL No:MFCD12153292
Product Description
Catalog Number:
AG01C55M
Chemical Name:
3-methyl-1-(pyridin-4-yl)butan-1-one
CAS Number:
79251-07-3
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD12153292
IUPAC Name:
3-methyl-1-pyridin-4-ylbutan-1-one
InChI:
InChI=1S/C10H13NO/c1-8(2)7-10(12)9-3-5-11-6-4-9/h3-6,8H,7H2,1-2H3
InChI Key:
OXKATPYKOFUGFU-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1ccncc1)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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