CS-0746246
2-benzoylcyclohexane-1,3-dione
Manufacturer: ChemScene
CAS Number: 69629-50-1
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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
C₁₃H₁₂O₃
Molecular Weight
216.23
Synonyms
None
SMILES
O=C(C1C(CCCC1=O)=O)C2=CC=CC=C2
Tpsa
51.21
Logp
1.8076
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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: C₁₃H₁₂O₃
Molecular Weight: 216.23
Synonyms: None
SMILES: O=C(C1C(CCCC1=O)=O)C2=CC=CC=C2
Tpsa: 51.21
Logp: 1.8076
H Acceptors: 3
H Donors: 0
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:
C₁₃H₁₂O₃
Molecular Weight:
216.23
Synonyms:
None
SMILES:
O=C(C1C(CCCC1=O)=O)C2=CC=CC=C2
Tpsa:
51.21
Logp:
1.8076
H Acceptors:
3
H Donors:
0
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: C₁₂H₁₆N₂O₃
Molecular Weight: 236.27
Synonyms: None
SMILES: N[C@@H]1CN(C[C@@H]1O)C(=O)OCC1=CC=CC=C1
Tpsa: 75.79
Logp: 0.327
H Acceptors: 4
H Donors: 2
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:
C₁₂H₁₆N₂O₃
Molecular Weight:
236.27
Synonyms:
None
SMILES:
N[C@@H]1CN(C[C@@H]1O)C(=O)OCC1=CC=CC=C1
Tpsa:
75.79
Logp:
0.327
H Acceptors:
4
H Donors:
2
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: C₆H₁₁ClN₄O₂S
Molecular Weight: 238.70
Synonyms: None
SMILES: Cl.NS(=O)(=O)C1=C2CNCCN2N=C1
Tpsa: 90.01
Logp: -0.9445
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₁ClN₄O₂S
Molecular Weight:
238.70
Synonyms:
None
SMILES:
Cl.NS(=O)(=O)C1=C2CNCCN2N=C1
Tpsa:
90.01
Logp:
-0.9445
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₈ClNO₄S
Molecular Weight: 343.83
Synonyms: None
SMILES: ClS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C2(CCC2)C1
Tpsa: 63.68
Logp: 2.8888
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₈ClNO₄S
Molecular Weight:
343.83
Synonyms:
None
SMILES:
ClS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C2(CCC2)C1
Tpsa:
63.68
Logp:
2.8888
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3