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87004-02-2 | PYRIDINE 1
CAS No: 87004-02-2 Catalog No: AG00H079 MDL No:
Product Description
Catalog Number:
AG00H079
Chemical Name:
PYRIDINE 1
CAS Number:
87004-02-2
IUPAC Name:
4-[(1E,3E)-4-(1-ethylpyridin-1-ium-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline;perchlorate
InChI:
InChI=1S/C19H23N2.ClHO4/c1-4-21-16-8-7-11-19(21)10-6-5-9-17-12-14-18(15-13-17)20(2)3;2-1(3,4)5/h5-16H,4H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
NURUHMMUJFXYDY-UHFFFAOYSA-M
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
378.135g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.853g/mol
Monoisotopic Mass:
378.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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