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Home > Pyridines > 338966-39-5
338966-39-5 | 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CAS No: 338966-39-5 Catalog No: AG00IQ45 MDL No:MFCD00663830
Product Description
Catalog Number:
AG00IQ45
Chemical Name:
4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CAS Number:
338966-39-5
Molecular Formula:
C16H15N3O
Molecular Weight:
265.3098
MDL Number:
MFCD00663830
IUPAC Name:
4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C16H15N3O/c1-10-13(8-17)16(14(9-18)11(2)19-10)12-6-4-5-7-15(12)20-3/h4-7,16,19H,1-3H3
InChI Key:
RXBZZUBZRCBRFD-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)NC(=C(C1c1ccccc1OC)C#N)C
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.316g/mol
Monoisotopic Mass:
265.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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