175033-36-0
Product Name:
NO-ASPIRIN 1
Formula:
C16H13NO7
Synonyms:
2-(Acetyloxy)-benzoic acid 3-[(nitrooxy)methyl]phenyl ester;2-Acetoxybenzoic acid 3-nitrooxymethylphenyl ester;3-(Nitroxymethyl)phenyl 2-acetoxybenzoate;NCX-4016;Nitroaspirin
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 331.28 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 331.06920175 g/mol |
| Monoisotopic Mass | 331.06920175 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 462 |
| 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 |
PRODUCT INTRODUCTION
description
2-acetyloxybenzoic acid [3-(nitrooxymethyl)phenyl] ester is a carbonyl compound.