CS-0589603
3-(2,5-Dimethylphenyl)propiolic acid
Manufacturer: ChemScene
CAS Number: 74877-60-4
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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
C₁₁H₁₀O₂
Molecular Weight
174.20
Synonyms
None
SMILES
CC1=CC(=C(C=C1)C)C#CC(=O)O
Tpsa
37.3
Logp
1.73954
H Acceptors
1
H Donors
1
Rotatable Bonds
0
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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: C₁₁H₁₀O₂
Molecular Weight: 174.20
Synonyms: None
SMILES: CC1=CC(=C(C=C1)C)C#CC(=O)O
Tpsa: 37.3
Logp: 1.73954
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:
C₁₁H₁₀O₂
Molecular Weight:
174.20
Synonyms:
None
SMILES:
CC1=CC(=C(C=C1)C)C#CC(=O)O
Tpsa:
37.3
Logp:
1.73954
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: C₁₄H₁₈BrN₅O₃
Molecular Weight: 384.23
Synonyms: None
SMILES: O=C(C1=CC=CC([N+]([O-])=O)=C1)C[N+]2(C3)CN4CN3CN(C4)C2.[Br-]
Tpsa: 69.93
Logp: -2.7099
H Acceptors: 6
H Donors: 0
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:
C₁₄H₁₈BrN₅O₃
Molecular Weight:
384.23
Synonyms:
None
SMILES:
O=C(C1=CC=CC([N+]([O-])=O)=C1)C[N+]2(C3)CN4CN3CN(C4)C2.[Br-]
Tpsa:
69.93
Logp:
-2.7099
H Acceptors:
6
H Donors:
0
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: C₈H₁₆O₂S
Molecular Weight: 176.28
Synonyms: Methylthiomethyl hexanoate
SMILES: CCCCCC(OCSC)=O
Tpsa: 26.3
Logp: 2.4304
H Acceptors: 3
H Donors: 0
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:
C₈H₁₆O₂S
Molecular Weight:
176.28
Synonyms:
Methylthiomethyl hexanoate
SMILES:
CCCCCC(OCSC)=O
Tpsa:
26.3
Logp:
2.4304
H Acceptors:
3
H Donors:
0
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: C₁₁H₁₁N₃S
Molecular Weight: 217.29
Synonyms: None
SMILES: C1CC1NC(=S)NC2=CC=CC(=C2)C#N
Tpsa: 47.85
Logp: 2.00708
H Acceptors: 2
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:
C₁₁H₁₁N₃S
Molecular Weight:
217.29
Synonyms:
None
SMILES:
C1CC1NC(=S)NC2=CC=CC(=C2)C#N
Tpsa:
47.85
Logp:
2.00708
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2