CS-0644951
3-Acetyl-4-hydroxy-5-methoxybenzoic acid Opicapone impurity
Manufacturer: ChemScene
CAS Number: 874518-62-4
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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
C₁₀H₁₀O₅
Molecular Weight
210.18
Synonyms
None
SMILES
O=C(O)C1=CC(OC)=C(O)C(C(C)=O)=C1
Tpsa
83.83
Logp
1.3016
H Acceptors
4
H Donors
2
Rotatable Bonds
3
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: C₁₀H₁₀O₅
Molecular Weight: 210.18
Synonyms: None
SMILES: O=C(O)C1=CC(OC)=C(O)C(C(C)=O)=C1
Tpsa: 83.83
Logp: 1.3016
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:
C₁₀H₁₀O₅
Molecular Weight:
210.18
Synonyms:
None
SMILES:
O=C(O)C1=CC(OC)=C(O)C(C(C)=O)=C1
Tpsa:
83.83
Logp:
1.3016
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: C₈H₉Cl₂N₂O₂
Molecular Weight: 236.08
Synonyms: None
SMILES: CC1=C(C(Cl)=[N](C(C)=C1Cl)O)C(N)=O
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉Cl₂N₂O₂
Molecular Weight:
236.08
Synonyms:
None
SMILES:
CC1=C(C(Cl)=[N](C(C)=C1Cl)O)C(N)=O
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₄Cl₂N₄O₆
Molecular Weight: 429.21
Synonyms: None
SMILES: COC1=CC(C(O/N=C(C2=C(N=C(C(Cl)=C2C)C)Cl)\N)=O)=CC([N+]([O-])=O)=C1O
Tpsa: 150.17
Logp: 3.10494
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₄Cl₂N₄O₆
Molecular Weight:
429.21
Synonyms:
None
SMILES:
COC1=CC(C(O/N=C(C2=C(N=C(C(Cl)=C2C)C)Cl)\N)=O)=CC([N+]([O-])=O)=C1O
Tpsa:
150.17
Logp:
3.10494
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₁₉Cl₂N₅O₁₁
Molecular Weight: 624.34
Synonyms: None
SMILES: COC1=CC(C(N/C(C2=C(C(Cl)=C(N=C2Cl)C)C)=N\OC(C3=CC([N+]([O-])=O)=C(C(OC)=C3)O)=O)=O)=CC([N+]([O-])=O)=C1O
Tpsa: 225.85
Logp: 4.19864
H Acceptors: 13
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₁₉Cl₂N₅O₁₁
Molecular Weight:
624.34
Synonyms:
None
SMILES:
COC1=CC(C(N/C(C2=C(C(Cl)=C(N=C2Cl)C)C)=N\OC(C3=CC([N+]([O-])=O)=C(C(OC)=C3)O)=O)=O)=CC([N+]([O-])=O)=C1O
Tpsa:
225.85
Logp:
4.19864
H Acceptors:
13
H Donors:
3
Rotatable Bonds:
8