CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 149.7 Ų [M+H]+ [CCS Type: TW] |
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COMPUTED DESCRIPTORS
Molecular Weight | 220.34 g/mol |
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XLogP3 | 1.9 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
Exact Mass | 220.10341969 g/mol |
Monoisotopic Mass | 220.10341969 g/mol |
Topological Polar Surface Area | 43.8 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 273 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-methyl-2-[2-(3-methyl-2-thiophenyl)ethenyl]-5,6-dihydro-4H-pyrimidine is a member of pyrimidines.