CS-0865735
1-Ethyl 4-(2-carboxyethynyl)benzoate
Manufacturer: ChemScene
CAS Number: 1440096-87-6
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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
C₁₂H₁₀O₄
Molecular Weight
218.21
Synonyms
None
SMILES
O=C(C#CC1=CC=C(C(OCC)=O)C=C1)O
Tpsa
63.6
Logp
1.2994
H Acceptors
3
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₀O₄
Molecular Weight: 218.21
Synonyms: None
SMILES: O=C(C#CC1=CC=C(C(OCC)=O)C=C1)O
Tpsa: 63.6
Logp: 1.2994
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:
C₁₂H₁₀O₄
Molecular Weight:
218.21
Synonyms:
None
SMILES:
O=C(C#CC1=CC=C(C(OCC)=O)C=C1)O
Tpsa:
63.6
Logp:
1.2994
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: C₁₁H₁₅NO₄
Molecular Weight: 225.24
Synonyms: None
SMILES: O=C(O)C#CCN(CC1)CCC21OCCO2
Tpsa: 59
Logp: -0.0867
H Acceptors: 4
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:
C₁₁H₁₅NO₄
Molecular Weight:
225.24
Synonyms:
None
SMILES:
O=C(O)C#CCN(CC1)CCC21OCCO2
Tpsa:
59
Logp:
-0.0867
H Acceptors:
4
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: C₈H₄ClF₅
Molecular Weight: 230.56
Synonyms: None
SMILES: FC(C1=CC=C(Cl)C=C1C(F)F)(F)F
Tpsa: 0
Logp: 4.2964
H Acceptors: 0
H Donors: 0
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:
C₈H₄ClF₅
Molecular Weight:
230.56
Synonyms:
None
SMILES:
FC(C1=CC=C(Cl)C=C1C(F)F)(F)F
Tpsa:
0
Logp:
4.2964
H Acceptors:
0
H Donors:
0
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: C₁₄H₂₁NO₄
Molecular Weight: 267.32
Synonyms: None
SMILES: O=C(N1CCC(C#CC(OC)=O)CC1)OC(C)(C)C
Tpsa: 55.84
Logp: 1.8099
H Acceptors: 4
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:
C₁₄H₂₁NO₄
Molecular Weight:
267.32
Synonyms:
None
SMILES:
O=C(N1CCC(C#CC(OC)=O)CC1)OC(C)(C)C
Tpsa:
55.84
Logp:
1.8099
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
0