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61273-95-8 | 1-benzyl-1,2,5,6-tetrahydro-2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyridinium hydrogen oxalate
CAS No: 61273-95-8 Catalog No: AG00EOYC MDL No:
Product Description
Catalog Number:
AG00EOYC
Chemical Name:
1-benzyl-1,2,5,6-tetrahydro-2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyridinium hydrogen oxalate
CAS Number:
61273-95-8
IUPAC Name:
1-benzyl-6-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,2,3,6-tetrahydropyridin-1-ium;2-hydroxy-2-oxoacetate
InChI:
InChI=1S/C22H27NO.C2H2O4/c1-17-13-14-23(16-20-7-5-4-6-8-20)22(18(17)2)15-19-9-11-21(24-3)12-10-19;3-1(4)2(5)6/h4-12,22H,13-16H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
VCMIRIQOAQFPDB-UHFFFAOYSA-N
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.205g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
411.498g/mol
Monoisotopic Mass:
411.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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