593272-74-3
Product Name:
Benzoic acid, 3-methyl-4-(1H-pyrrol-1-yl)- (9CI)
Formula:
C12H11NO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 201.22 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 201.078978594 g/mol |
| Monoisotopic Mass | 201.078978594 g/mol |
| Topological Polar Surface Area | 42.2 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 236 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |