CS-0590542
1-(tert-Butyl) 1-methyl (1r,4r)-4-hydroxycyclohexane-1,1-dicarboxylate
Manufacturer: ChemScene
CAS Number: 2787518-89-0
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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
C₁₃H₂₂O₅
Molecular Weight
258.31
Synonyms
None
SMILES
O[C@@H]1CC[C@@](C(OC)=O)(C(OC(C)(C)C)=O)CC1
Tpsa
72.83
Logp
1.4224
H Acceptors
5
H Donors
1
Rotatable Bonds
2
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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: C₁₃H₂₂O₅
Molecular Weight: 258.31
Synonyms: None
SMILES: O[C@@H]1CC[C@@](C(OC)=O)(C(OC(C)(C)C)=O)CC1
Tpsa: 72.83
Logp: 1.4224
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:
C₁₃H₂₂O₅
Molecular Weight:
258.31
Synonyms:
None
SMILES:
O[C@@H]1CC[C@@](C(OC)=O)(C(OC(C)(C)C)=O)CC1
Tpsa:
72.83
Logp:
1.4224
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: C₇H₂ClF₃O₂
Molecular Weight: 210.54
Synonyms: None
SMILES: O=C(O)C1=C(F)C(F)=CC(Cl)=C1F
Tpsa: 37.3
Logp: 2.4555
H Acceptors: 1
H Donors: 1
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:
C₇H₂ClF₃O₂
Molecular Weight:
210.54
Synonyms:
None
SMILES:
O=C(O)C1=C(F)C(F)=CC(Cl)=C1F
Tpsa:
37.3
Logp:
2.4555
H Acceptors:
1
H Donors:
1
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: C₁₅H₂₈N₂O₂
Molecular Weight: 268.40
Synonyms: INDEX NAME NOT YET ASSIGNED
SMILES: CC(C)(C)OC(N1C[C@]2(C[C@@H]([C@H](CC2)N)C)CC1)=O
Tpsa: 55.56
Logp: 2.7609
H Acceptors: 3
H Donors: 1
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:
C₁₅H₂₈N₂O₂
Molecular Weight:
268.40
Synonyms:
INDEX NAME NOT YET ASSIGNED
SMILES:
CC(C)(C)OC(N1C[C@]2(C[C@@H]([C@H](CC2)N)C)CC1)=O
Tpsa:
55.56
Logp:
2.7609
H Acceptors:
3
H Donors:
1
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: C₅H₂BrClIN
Molecular Weight: 318.34
Synonyms: None
SMILES: IC1=CC(Cl)=CC(Br)=N1
Tpsa: 12.89
Logp: 3.1021
H Acceptors: 1
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:
C₅H₂BrClIN
Molecular Weight:
318.34
Synonyms:
None
SMILES:
IC1=CC(Cl)=CC(Br)=N1
Tpsa:
12.89
Logp:
3.1021
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0