4-Hydroxy-3-nitrobenzyl alcohol


Chemical Name: 4-Hydroxy-3-nitrobenzyl alcohol
CAS Number: 41833-13-0
Product Number: AG00C8B0(AGN-PC-0WAJNL)
Synonyms:
MDL No:
Molecular Formula: C7H7NO4
Molecular Weight: 169.1348

Identification/Properties


Computed Properties
Molecular Weight:
169.136g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
169.038g/mol
Monoisotopic Mass:
169.038g/mol
Topological Polar Surface Area:
86.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
167
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/4-Hydroxy-3-nitrobenzyl_alcohol-41833-13-0-HNMR.pdf

Other Analytical Data


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