5-Nitro-m-xylene-α,α'-diol - CAS 71176-55-1
Catalog: |
BB034324 |
Product Name: |
5-Nitro-m-xylene-α,α'-diol |
CAS: |
71176-55-1 |
Synonyms: |
[3-(hydroxymethyl)-5-nitrophenyl]methanol |
IUPAC Name: | [3-(hydroxymethyl)-5-nitrophenyl]methanol |
Description: | 5-Nitro-m-xylene-α,α'-diol (CAS# 71176-55-1) is a useful research chemical compound. |
Molecular Weight: | 183.16 |
Molecular Formula: | C8H9NO4 |
Canonical SMILES: | C1=C(C=C(C=C1CO)[N+](=O)[O-])CO |
InChI: | InChI=1S/C8H9NO4/c10-4-6-1-7(5-11)3-8(2-6)9(12)13/h1-3,10-11H,4-5H2 |
InChI Key: | FTLFITNFXXERLN-UHFFFAOYSA-N |
Boiling Point: | 421.9 ℃ at 760 mmHg |
Density: | 1.42 g/cm3 |
LogP: | 1.10260 |
Publication Number | Title | Priority Date |
WO-2020201326-A1 | Aminoguanidine hydrazones as retromer stabilizers useful for treating neurological diseases | 20190401 |
US-2020172481-A1 | Methods of preparing cytotoxic benzodiazepine derivatives | 20181112 |
WO-2020102053-A1 | Methods of preparing cytotoxic benzodiazepine derivatives | 20181112 |
US-10913713-B2 | Methods of preparing cytotoxic benzodiazepine derivatives | 20181112 |
CA-3050262-A1 | Methods of preparing cytotoxic benzodiazepine derivatives | 20170125 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 86.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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