1-Cyclopropyl-2-nitroethanol - CAS 54120-03-5
Catalog: |
BB028508 |
Product Name: |
1-Cyclopropyl-2-nitroethanol |
CAS: |
54120-03-5 |
Synonyms: |
1-cyclopropyl-2-nitroethanol; 1-cyclopropyl-2-nitroethanol |
IUPAC Name: | 1-cyclopropyl-2-nitroethanol |
Description: | 1-Cyclopropyl-2-nitroethanol (CAS# 54120-03-5) is a useful research chemical. |
Molecular Weight: | 131.13 |
Molecular Formula: | C5H9NO3 |
Canonical SMILES: | C1CC1C(C[N+](=O)[O-])O |
InChI: | InChI=1S/C5H9NO3/c7-5(3-6(8)9)4-1-2-4/h4-5,7H,1-3H2 |
InChI Key: | IWZPNMNTVFKFOH-UHFFFAOYSA-N |
LogP: | 0.55720 |
Publication Number | Title | Priority Date |
AU-2017339249-A1 | Substituted pyrrolidines and their use in the treatment of cystic fiibrosis | 20161007 |
EP-3523293-A1 | Substituted pyrrolidines and their use in the treatment of cystic fiibrosis | 20161007 |
US-2018099931-A1 | Substituted Pyrrolidines and Methods of Use | 20161007 |
US-9981910-B2 | Substituted pyrrolidines and methods of use | 20161007 |
WO-2018065962-A1 | Substituted pyrrolidines and their use in the treatment of cystic fiibrosis | 20161007 |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 131.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 131.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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