CS-0767446
N-(1-Methoxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide
Manufacturer: ChemScene
CAS Number: 139356-93-7
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₁₁NO₃
Molecular Weight
181.19
Synonyms
None
SMILES
COC1(NC(C)=O)C=CC(=O)C=C1
Tpsa
55.4
Logp
0.1603
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁NO₃
Molecular Weight: 181.19
Synonyms: None
SMILES: COC1(NC(C)=O)C=CC(=O)C=C1
Tpsa: 55.4
Logp: 0.1603
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁NO₃
Molecular Weight:
181.19
Synonyms:
None
SMILES:
COC1(NC(C)=O)C=CC(=O)C=C1
Tpsa:
55.4
Logp:
0.1603
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₉Cl₃N₂O
Molecular Weight: 303.57
Synonyms: None
SMILES: NC1=C(N)C=C(OC2=C(Cl)C(Cl)=CC=C2)C(Cl)=C1
Tpsa: 61.27
Logp: 4.6035
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₉Cl₃N₂O
Molecular Weight:
303.57
Synonyms:
None
SMILES:
NC1=C(N)C=C(OC2=C(Cl)C(Cl)=CC=C2)C(Cl)=C1
Tpsa:
61.27
Logp:
4.6035
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: C₈H₈N₄S
Molecular Weight: 192.24
Synonyms: None
SMILES: NC1=NN=C(CS1)C2=CC=CN=C2
Tpsa: 63.63
Logp: 0.8472
H Acceptors: 5
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:
C₈H₈N₄S
Molecular Weight:
192.24
Synonyms:
None
SMILES:
NC1=NN=C(CS1)C2=CC=CN=C2
Tpsa:
63.63
Logp:
0.8472
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₇NO₄S
Molecular Weight: 213.21
Synonyms: None
SMILES: OCN1C(=O)C2=C(C=CC=C2)S1(=O)=O
Tpsa: 74.68
Logp: -0.2191
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇NO₄S
Molecular Weight:
213.21
Synonyms:
None
SMILES:
OCN1C(=O)C2=C(C=CC=C2)S1(=O)=O
Tpsa:
74.68
Logp:
-0.2191
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1