CS-0771361
5-(2-(3-chlorophenyl)-1-hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Manufacturer: ChemScene
CAS Number: 1621689-63-1
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₁₃ClO₅
Molecular Weight
296.70
Synonyms
None
SMILES
O=C1OC(C)(C)OC(/C1=C(CC2=CC(Cl)=CC=C2)\O)=O
Tpsa
72.83
Logp
2.5307
H Acceptors
5
H Donors
1
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₃ClO₅
Molecular Weight: 296.70
Synonyms: None
SMILES: O=C1OC(C)(C)OC(/C1=C(CC2=CC(Cl)=CC=C2)\O)=O
Tpsa: 72.83
Logp: 2.5307
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₃ClO₅
Molecular Weight:
296.70
Synonyms:
None
SMILES:
O=C1OC(C)(C)OC(/C1=C(CC2=CC(Cl)=CC=C2)\O)=O
Tpsa:
72.83
Logp:
2.5307
H Acceptors:
5
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: C₁₄H₁₁N₃O₂
Molecular Weight: 253.26
Synonyms: None
SMILES: CC1=CC=CC(=C1)C1=NC2=CC=C(C=C2N1)[N+]([O-])=O
Tpsa: 71.82
Logp: 3.44652
H Acceptors: 3
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:
C₁₄H₁₁N₃O₂
Molecular Weight:
253.26
Synonyms:
None
SMILES:
CC1=CC=CC(=C1)C1=NC2=CC=C(C=C2N1)[N+]([O-])=O
Tpsa:
71.82
Logp:
3.44652
H Acceptors:
3
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: C₉H₁₁NO₄
Molecular Weight: 197.19
Synonyms: None
SMILES: OCCC(O)C1=CC=C(C=C1)[N+]([O-])=O
Tpsa: 83.6
Logp: 1.0106
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁NO₄
Molecular Weight:
197.19
Synonyms:
None
SMILES:
OCCC(O)C1=CC=C(C=C1)[N+]([O-])=O
Tpsa:
83.6
Logp:
1.0106
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₇N₅O₆
Molecular Weight: 457.48
Synonyms: None
SMILES: OC(=O)CN1CCN(CC(O)=O)CC2=CC=CC(=N2)C2=CC=CC(CN(CC(O)=O)CC1)=N2
Tpsa: 147.4
Logp: 0.317
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₇N₅O₆
Molecular Weight:
457.48
Synonyms:
None
SMILES:
OC(=O)CN1CCN(CC(O)=O)CC2=CC=CC(=N2)C2=CC=CC(CN(CC(O)=O)CC1)=N2
Tpsa:
147.4
Logp:
0.317
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
6