CS-1148964
1H-Phenalene-1,2,3-trione hydrate
Manufacturer: ChemScene
CAS Number: 95874-53-6
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₈O₄
Molecular Weight
228.20
Synonyms
None
SMILES
O=C1C(=O)C=2C=CC=C3C=CC=C(C1=O)C32.O
Tpsa
82.71
Logp
0.9632
H Acceptors
3
H Donors
0
Rotatable Bonds
0
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₈O₄
Molecular Weight: 228.20
Synonyms: None
SMILES: O=C1C(=O)C=2C=CC=C3C=CC=C(C1=O)C32.O
Tpsa: 82.71
Logp: 0.9632
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₈O₄
Molecular Weight:
228.20
Synonyms:
None
SMILES:
O=C1C(=O)C=2C=CC=C3C=CC=C(C1=O)C32.O
Tpsa:
82.71
Logp:
0.9632
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₈ClN₃
Molecular Weight: 145.59
Synonyms: None
SMILES: Cl.N=1C=CC(N)=C(N)C1
Tpsa: 64.93
Logp: 0.6678
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈ClN₃
Molecular Weight:
145.59
Synonyms:
None
SMILES:
Cl.N=1C=CC(N)=C(N)C1
Tpsa:
64.93
Logp:
0.6678
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₃N₃O₄
Molecular Weight: 203.20
Synonyms: None
SMILES: C(C(NCC(O)=O)=O)NC([C@H](C)N)=O
Tpsa: 121.52
Logp: -2.3494
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₃N₃O₄
Molecular Weight:
203.20
Synonyms:
None
SMILES:
C(C(NCC(O)=O)=O)NC([C@H](C)N)=O
Tpsa:
121.52
Logp:
-2.3494
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₂N₂O₂
Molecular Weight: 144.17
Synonyms: None
SMILES: O=C(N)C(=O)N(CC)CC
Tpsa: 63.4
Logp: -0.6599
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₂N₂O₂
Molecular Weight:
144.17
Synonyms:
None
SMILES:
O=C(N)C(=O)N(CC)CC
Tpsa:
63.4
Logp:
-0.6599
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2