4-Methyl-3-nitrobenzyl alcohol - CAS 40870-59-5
Catalog: |
BB024698 |
Product Name: |
4-Methyl-3-nitrobenzyl alcohol |
CAS: |
40870-59-5 |
Synonyms: |
(4-methyl-3-nitrophenyl)methanol |
IUPAC Name: | (4-methyl-3-nitrophenyl)methanol |
Description: | 4-Methyl-3-nitrobenzyl alcohol (CAS# 40870-59-5) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC1=C(C=C(C=C1)CO)[N+](=O)[O-] |
InChI: | InChI=1S/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3 |
InChI Key: | URCWIFSXDARYLY-UHFFFAOYSA-N |
Boiling Point: | 320 ℃ at 760 mmHg |
Density: | 1.272 g/cm3 |
Appearance: | Yellow to light yellow powder |
LogP: | 1.91870 |
Publication Number | Title | Priority Date |
WO-2021138694-A1 | Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same | 20200102 |
JP-2018026542-A | Solid electrolytic capacitor and manufacturing method thereof | 20160808 |
JP-6694855-B2 | Solid electrolytic capacitor and manufacturing method thereof | 20160808 |
US-10210997-B2 | Solid electrolytic capacitor and manufacturing method thereof | 20160808 |
US-2018040430-A1 | Solid electrolytic capacitor and manufacturing method thereof | 20160808 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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