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Home Other Building Blocks 1-Benzyl-1,2-dihydropyridin-2-one

1-Benzyl-1,2-dihydropyridin-2-one

CAS No.:
1753-62-4
Catalog Number:
AG0020VQ
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$105
- +
5g
97%
1 week
United States
$239
- +
10g
97%
1 week
United States
$414
- +
Product Description
Catalog Number:
AG0020VQ
Chemical Name:
1-Benzyl-1,2-dihydropyridin-2-one
CAS Number:
1753-62-4
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD00462400
IUPAC Name:
1-benzylpyridin-2-one
InChI:
InChI=1S/C12H11NO/c14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
MYZVUSAIFXIGNC-UHFFFAOYSA-N
SMILES:
O=c1ccccn1Cc1ccccc1
NSC Number:
54572
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Structure-based 3D-QSAR models and dynamics analysis of novel N-benzyl pyridinone as p38α MAP kinase inhibitors for anticytokine activity. Journal of molecular graphics & modelling 20120601
Toward prediction of alkane/water partition coefficients. Journal of medicinal chemistry 20080710
Properties