6-Nitrohexanoic acid - CAS 10269-96-2
Catalog: |
BB000920 |
Product Name: |
6-Nitrohexanoic acid |
CAS: |
10269-96-2 |
Synonyms: |
6-nitrohexanoic acid |
IUPAC Name: | 6-nitrohexanoic acid |
Description: | 6-Nitrohexanoic acid (CAS# 10269-96-2 ) is a useful research chemical. |
Molecular Weight: | 161.16 |
Molecular Formula: | C6H11NO4 |
Canonical SMILES: | C(CCC(=O)O)CC[N+](=O)[O-] |
InChI: | InChI=1S/C6H11NO4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9) |
InChI Key: | RDMHCTBEKVBKLF-UHFFFAOYSA-N |
Boiling Point: | 136 °C0.3 mmHg (lit.) |
Melting Point: | 21-22 °C(lit.) |
Purity: | 95 % |
Density: | 1.186 g/mL at 25 °C(lit.) |
MDL: | MFCD00075346 |
LogP: | 1.43130 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2019079701-A1 | HETEROBIFUNCTIONAL COMPOUNDS HAVING IMPROVED SPECIFICITY FOR BRD4 BROMODOMAINE | 20171020 |
EP-3676268-A1 | Heterobifunctional compounds with improved specificityfor the bromodomain of brd4 | 20171020 |
US-2021130368-A1 | Heterobifunctional compounds with improved specificity | 20171020 |
JP-2015214708-A | Phase separation structure and manufacturing method thereof | 20150706 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.06880783 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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