5-Nitro-m-xylene-α,α'-diol - CAS 71176-55-1

Name: 5-Nitro-m-xylene-α,α'-diol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034324
Product Name:	5-Nitro-m-xylene-α,α'-diol
CAS:	71176-55-1
Synonyms:	[3-(hydroxymethyl)-5-nitrophenyl]methanol

Technical Data

Patents

Computed Properties

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 °C at 760 mmHg
Density:	1.42 g/cm³
LogP:	1.10260

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Related Functional Groups

Alcohols and Derivatives

[64437-48-5]C16H32O
(Z)-10-Hexadecenol
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[112256-09-4]C8H12O
1-Cyclopentyl-2-propyn-1-ol
[162894-76-0]C2H7NO3S
2-Hydroxyethane-1-sulfonamide
[5272-36-6]C6H12OSi
3-(Trimethylsilyl)propargyl alcohol
[1299597-30-0]C11H14O4
5-(3'-Hydroxyphenyl)-γ-hydroxyvaleric acid

Oxygen Compounds

[77987-49-6]C10H13NO3
Z-Glycinol
[52378-69-5]C13H19O3P
Diethyl trans-cinnamylphosphonate
[5896-75-3]C20H25N3O3
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[88-60-8]C11H16O
2-tert-Butyl-5-methylphenol
[5724-76-5]C7H9NO4
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

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