5-nitro-2,3-dihydroxynaphthalene

CAT: 0127-OR1042527-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1042527-01Size:100 mg

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CAS Number

77542-54-2

Purity

97%

Smiles

[O-][N+](=O)c1cccc2c1cc(O)c(c2)O

Chemical Information

5-Nitronaphthalene-2,3-diol

CAS Number	77542-54-2
PubChem CID	11052758
IUPAC Name	5-nitronaphthalene-2,3-diol
Molecular Formula	C10H7NO4
Molecular Weight	205.17
XLogP	2.5
Topological Polar Surface Area	86.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	252

SMILES

C1=CC2=CC(=C(C=C2C(=C1)[N+](=O)[O-])O)O

InChI

InChI=1S/C10H7NO4/c12-9-4-6-2-1-3-8(11(14)15)7(6)5-10(9)13/h1-5,12-13H

InChIKey

LDYYFPIQYNIWIW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77542-54-2

CID: 11052758

Formula: C10H7NO4

MW: 205.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.17
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	205.03750770
Monoisotopic Mass	205.03750770
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	252
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

Catalog	Name
OR904617-01	2,3-Dihydroxynaphthalene
OR936200-01	1,5-Dihydroxynaphthalene
OR55332-01	1,3-Dihydroxynaphthalene
OR926339-01	2,7-Dihydroxynaphthalene
OR92147-01	2,6-Dihydroxynaphthalene-1,5-dicarbaldehyde
OR927003-01	1,2-Dihydroxynaphthalene
OR1009981-01	2,3-Dichloro-5,8-Dihydroxynaphthalene-1,4-Dione
OR1058092-01	2,3-Dihydroxynaphthalene-1,4-dicarbaldehyde
OR471332	3,7-Dibromo-2,6-dihydroxynaphthalene
OR1066865-01	1,5-Dihydroxynaphthalene-2,6-dicarboxylic acid

Catalog	Name
HY-W012558-01	2,3-Dihydroxynaphthalene
D29990-01	2 3-Dihydroxynaphthalene 95%
23668551	1,5-Dihydroxynaphthalene
073255-01	1,5- Dihydroxynaphthalene
XAA97474-01	N,3-Dihydroxynaphthalene-2-carboxamide
GT2891-5g	1,3-Dihydroxynaphthalene
BW GA 0291-01	2-ethoxy-3,5-dihydroxynaphthalene-1,4-dione
HY-W015451-01	2,7-Dihydroxynaphthalene
TRC-D454168-50MG	1,2-Dihydroxynaphthalene
TRC-D453520-2.5G	2,6-Dihydroxynaphthalene