CS-0865715
3-(2,4,6-Trimethylphenyl)-2-propynoic acid
Manufacturer: ChemScene
CAS Number: 408511-61-5
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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
C₁₂H₁₂O₂
Molecular Weight
188.22
Synonyms
None
SMILES
O=C(O)C#CC1=C(C)C=C(C)C=C1C
Tpsa
37.3
Logp
2.04796
H Acceptors
1
H Donors
1
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: C₁₂H₁₂O₂
Molecular Weight: 188.22
Synonyms: None
SMILES: O=C(O)C#CC1=C(C)C=C(C)C=C1C
Tpsa: 37.3
Logp: 2.04796
H Acceptors: 1
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:
C₁₂H₁₂O₂
Molecular Weight:
188.22
Synonyms:
None
SMILES:
O=C(O)C#CC1=C(C)C=C(C)C=C1C
Tpsa:
37.3
Logp:
2.04796
H Acceptors:
1
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: C₁₂H₆O₄
Molecular Weight: 214.17
Synonyms: None
SMILES: O=C(C#CC1=CC=C(C=C1)C#CC(O)=O)O
Tpsa: 74.6
Logp: 0.5588
H Acceptors: 2
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:
C₁₂H₆O₄
Molecular Weight:
214.17
Synonyms:
None
SMILES:
O=C(C#CC1=CC=C(C=C1)C#CC(O)=O)O
Tpsa:
74.6
Logp:
0.5588
H Acceptors:
2
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: C₇H₅BrF₂O
Molecular Weight: 223.01
Synonyms: None
SMILES: OC1=CC=C(C(F)F)C(Br)=C1
Tpsa: 20.23
Logp: 3.0923
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:
C₇H₅BrF₂O
Molecular Weight:
223.01
Synonyms:
None
SMILES:
OC1=CC=C(C(F)F)C(Br)=C1
Tpsa:
20.23
Logp:
3.0923
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: C₁₀H₁₁F₂N
Molecular Weight: 183.20
Synonyms: None
SMILES: FC1(C2=CC=CC=C2NCCC1)F
Tpsa: 12.03
Logp: 2.9841
H Acceptors: 1
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:
C₁₀H₁₁F₂N
Molecular Weight:
183.20
Synonyms:
None
SMILES:
FC1(C2=CC=CC=C2NCCC1)F
Tpsa:
12.03
Logp:
2.9841
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0