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Home > Pyridines > 1510695-16-5
1510695-16-5 | 3-[2-(2,6-dimethyl-4-oxo-1,4-dihydropyridin-1-yl)ethyl]benzoic acid
CAS No: 1510695-16-5 Catalog No: AG01BB74 MDL No:MFCD28505898
Product Description
Catalog Number:
AG01BB74
Chemical Name:
3-[2-(2,6-dimethyl-4-oxo-1,4-dihydropyridin-1-yl)ethyl]benzoic acid
CAS Number:
1510695-16-5
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
MDL Number:
MFCD28505898
IUPAC Name:
3-[2-(2,6-dimethyl-4-oxopyridin-1-yl)ethyl]benzoic acid
InChI:
InChI=1S/C16H17NO3/c1-11-8-15(18)9-12(2)17(11)7-6-13-4-3-5-14(10-13)16(19)20/h3-5,8-10H,6-7H2,1-2H3,(H,19,20)
InChI Key:
SVYQJDRQAKFKEM-UHFFFAOYSA-N
SMILES:
O=c1cc(C)n(c(c1)C)CCc1cccc(c1)C(=O)O
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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