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2,4,6-Trinitrophenol | SBID = 594 | Compound |
Structure
Molecular Properties
Interactions: |
1
|
PubChem TPSA/Å2: |
158.0 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
0.9 |
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
1.0 |
Number of H-Bond Acceptors: |
7.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
0.0 |
3D Volume/Å3: |
151.7 |
Sum Formula: |
C6H3N3O7 |
M / g/mol: |
229.1 |
Complexity: |
292.0 |
Number of Conformers: |
1.0 |
Identifiers
-
Tags:
-
Name:
2,4,6-Trinitrophenol
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Preferred Abbreviation:
Picric acid
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IUPAC Name:
2,4,6-trinitrophenol
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CAS:
88-89-1
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CID:
6954
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InChiKey:
OXNIZHLAWKMVMX-UHFFFAOYSA-N
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InChi:
InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H
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CanoSmiles:
C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
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IsoSmiles:
C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]