Picric Acid saturated Aqueous Solution

CAT: 1278-02037 00100Size: 100 mLDry Ice: NoHazardous: No

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CAS Number

88-89-1

HS Code

29089990

Packaging Group

Chemical Information

Picric Acid

Picric acid is a C-nitro compound comprising phenol having three nitro substtituents at the 2-, 4- and 6-positions. It has a role as an antiseptic drug, a fixative and an explosive. It is functionally related to a phenol and a 1,3,5-trinitrobenzene. It is a conjugate acid of a picrate anion.

CAS Number	88-89-1
PubChem CID	6954
IUPAC Name	2,4,6-trinitrophenol
Molecular Formula	C6H3N3O7
Molecular Weight	229.10
XLogP	0.9
Topological Polar Surface Area	158
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	292

SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H

InChIKey

OXNIZHLAWKMVMX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88-89-1

CID: 6954

Formula: C6H3N3O7

MW: 229.10

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	229.10
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	228.99709944
Monoisotopic Mass	228.99709944
Topological Polar Surface Area	158 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	292
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

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Picric Acid saturated Aqueous Solution

Chemical Information

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