CS-0329281
2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 121625-79-4
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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
C₁₂H₁₄O₄
Molecular Weight
222.24
Synonyms
2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
SMILES
CC1=C(C2=C(CC(C)(C)CC2=O)O1)C(=O)O
Tpsa
67.51
Logp
2.44132
H Acceptors
3
H Donors
1
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 121625-79-4 | 2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylic acid | A2B Chem | -- |
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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: C₁₂H₁₄O₄
Molecular Weight: 222.24
Synonyms: 2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
SMILES: CC1=C(C2=C(CC(C)(C)CC2=O)O1)C(=O)O
Tpsa: 67.51
Logp: 2.44132
H Acceptors: 3
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:
C₁₂H₁₄O₄
Molecular Weight:
222.24
Synonyms:
2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
SMILES:
CC1=C(C2=C(CC(C)(C)CC2=O)O1)C(=O)O
Tpsa:
67.51
Logp:
2.44132
H Acceptors:
3
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: C₁₁H₁₄N₄
Molecular Weight: 202.26
Synonyms: 3-(3-isopropyl-1H-1,2,4-triazol-5-yl)aniline
SMILES: CC(C)C1=NC(=NN1)C2=CC=CC(=C2)N
Tpsa: 67.59
Logp: 2.1773
H Acceptors: 3
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:
C₁₁H₁₄N₄
Molecular Weight:
202.26
Synonyms:
3-(3-isopropyl-1H-1,2,4-triazol-5-yl)aniline
SMILES:
CC(C)C1=NC(=NN1)C2=CC=CC(=C2)N
Tpsa:
67.59
Logp:
2.1773
H Acceptors:
3
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: C₁₀H₇BrN₂O₂
Molecular Weight: 267.08
Synonyms: 4-(4-bromophenyl)-1H-pyrazine-2,3-dione
SMILES: C1=C(C=CC(=C1)N2C=CNC(=O)C2=O)Br
Tpsa: 54.86
Logp: 1.2883
H Acceptors: 3
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:
C₁₀H₇BrN₂O₂
Molecular Weight:
267.08
Synonyms:
4-(4-bromophenyl)-1H-pyrazine-2,3-dione
SMILES:
C1=C(C=CC(=C1)N2C=CNC(=O)C2=O)Br
Tpsa:
54.86
Logp:
1.2883
H Acceptors:
3
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: C₁₀H₁₂N₄O
Molecular Weight: 204.23
Synonyms: 4-(5-Methoxymethyl-2H-[1,2,4]triazol-3-yl)-phenylamine
SMILES: COCC1=NC(=NN1)C2=CC=C(C=C2)N
Tpsa: 76.82
Logp: 1.2003
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂N₄O
Molecular Weight:
204.23
Synonyms:
4-(5-Methoxymethyl-2H-[1,2,4]triazol-3-yl)-phenylamine
SMILES:
COCC1=NC(=NN1)C2=CC=C(C=C2)N
Tpsa:
76.82
Logp:
1.2003
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3