1,4-Naphthalenedione,2-hydroxy-3-nitro-(CAS No. 54808-30-9) CAS NO.54808-30-9

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Product Details

Keywords

1,4-Naphthalenedione,2-hydroxy-3-nitro-
54808-30-9
98%

Quick Details

ProName: 1,4-Naphthalenedione,2-hydroxy-3-nitro...
CasNo: 54808-30-9
Molecular Formula: C10H5 N O5
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: As requested
Port: SHANGHAI
ProductionCapacity: 10 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: As requested
LimitNum: 1 Gram

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Details

【Name】
1,4-Naphthalenedione,2-hydroxy-3-nitro-
【Iupac name】
4-hydroxy-3-nitronaphthalene-1,2-dione
【CAS Registry number】
54808-30-9
【Synonyms】
1,4-Naphthoquinone,2-hydroxy-3-nitro- (6CI)
2-Hydroxy-3-nitro-1,4-naphthoquinone
3-Nitro-2-hydroxy-1,4-naphthoquinone
NS 45609
NSC 86268
UA 45609
【Molecular Formula】
C10H5 N O5 (Products with the same molecular formula)
【Molecular Weight】
219.1504
【Inchi】
InChI=1/C10H5NO5/c12-8-5-3-1-2-4-6(5)9(13)10(14)7(8)11(15)16/h1-4,12H
【Canonical SMILES】
C1=CC=C2C(=C1)C(=C(C(=O)C2=O)[N+](=O)[O-])O
Chemical and Physical Properties
【Density】
1.63g/cm3
【Boiling Point】
366.8°C at 760 mmHg
【Refractive Index】
1.679
【Flash Point】
162.8°C
【Computed Properties】
Molecular Weight:219.1504 [g/mol]
Molecular Formula:C10H5NO5
XLogP3-AA:1.4
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:0
Tautomer Count:4
Exact Mass:219.016772
MonoIsotopic Mass:219.016772
Topological Polar Surface Area:100
Heavy Atom Count:16
Formal Charge:0
Complexity:406
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
Feature 3D Acceptor Count:4
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Henan Tianfu Chemical Co., Ltd.