4-Hydroxy-3-nitrobenzyl alcohol

CAS	41833-13-0
Structure
Description	4-Hydroxy-3-nitrobenzyl alcohol is a marine derived natural products found in Phidolopora pacifica.
Synonyms	3-Nitro-4-hydroxybenzyl alcohol
IUPAC Name	4-(Hydroxymethyl)-2-nitrophenol
Molecular Weight	169.13
Canonical SMILES	C1=CC(=C(C=C1CO)[N+](=O)[O-])O
InChI	InChI=1S/C7H7NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,9-10H,4H2
InChI Key	IMLGJYRKLCMJPI-UHFFFAOYSA-N
Boiling Point	298.4 °C (lit.)
Melting Point	94-98 °C
Purity	95%+
Density	1.4523 g/cm³
Complexity	167
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	169.0375077
Heavy Atom Count	12
Monoisotopic Mass	169.0375077
Physical State	Powder
Refractive Index	n20/D 1.550
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	86.3 Ų