CS-0867371
4-(3-Oxobutanoyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 64542-27-4
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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
C₁₁H₁₀O₄
Molecular Weight
206.19
Synonyms
None
SMILES
O=C(O)C1=CC=C(C(CC(C)=O)=O)C=C1
Tpsa
71.44
Logp
1.5466
H Acceptors
3
H Donors
1
Rotatable Bonds
4
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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: C₁₁H₁₀O₄
Molecular Weight: 206.19
Synonyms: None
SMILES: O=C(O)C1=CC=C(C(CC(C)=O)=O)C=C1
Tpsa: 71.44
Logp: 1.5466
H Acceptors: 3
H Donors: 1
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:
C₁₁H₁₀O₄
Molecular Weight:
206.19
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C(CC(C)=O)=O)C=C1
Tpsa:
71.44
Logp:
1.5466
H Acceptors:
3
H Donors:
1
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: C₁₁H₉NO₃
Molecular Weight: 203.19
Synonyms: None
SMILES: O=C(C1=CN(C(C)=O)C2=C1C=CC=C2)O
Tpsa: 59.3
Logp: 1.9996
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:
C₁₁H₉NO₃
Molecular Weight:
203.19
Synonyms:
None
SMILES:
O=C(C1=CN(C(C)=O)C2=C1C=CC=C2)O
Tpsa:
59.3
Logp:
1.9996
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: C₁₀H₈N₂O₃
Molecular Weight: 204.18
Synonyms: None
SMILES: O=C(C1=CC2=C(C=C1)C=NN2C(C)=O)O
Tpsa: 72.19
Logp: 1.3946
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:
C₁₀H₈N₂O₃
Molecular Weight:
204.18
Synonyms:
None
SMILES:
O=C(C1=CC2=C(C=C1)C=NN2C(C)=O)O
Tpsa:
72.19
Logp:
1.3946
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: C₁₀H₈F₃NO₃
Molecular Weight: 247.17
Synonyms: None
SMILES: O=C(O)C1=CC=C(NC(C)=O)C=C1C(F)(F)F
Tpsa: 66.4
Logp: 2.362
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:
C₁₀H₈F₃NO₃
Molecular Weight:
247.17
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(NC(C)=O)C=C1C(F)(F)F
Tpsa:
66.4
Logp:
2.362
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2