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

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

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

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Related Functional Groups

Alcohols and Derivatives

[62972-93-4]
(Z)-11-Octadecen-1-ol
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[1017184-54-1]
3-Amino-2-(2-pyridylmethyl)-1-propanol
[1468-95-7]
9-Anthracenemethanol
[1328640-72-7]
(1-Ethyl-3-nitro-1H-pyrazol-5-YL)methanol

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

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