CS-0694593
3,6-Dioxocyclohexa-1,4-diene-1-carbonitrile
Manufacturer: ChemScene
CAS Number: 3958-77-8
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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
C₇H₃NO₂
Molecular Weight
133.10
Synonyms
None
SMILES
N#CC1=CC(C=CC1=O)=O
Tpsa
57.93
Logp
0.14438
H Acceptors
3
H Donors
0
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: C₇H₃NO₂
Molecular Weight: 133.10
Synonyms: None
SMILES: N#CC1=CC(C=CC1=O)=O
Tpsa: 57.93
Logp: 0.14438
H Acceptors: 3
H Donors: 0
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:
C₇H₃NO₂
Molecular Weight:
133.10
Synonyms:
None
SMILES:
N#CC1=CC(C=CC1=O)=O
Tpsa:
57.93
Logp:
0.14438
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 95%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅ClIN
Molecular Weight: 289.50
Synonyms: None
SMILES: IC1=CC=C2C=CC(Cl)=NC2=C1
Tpsa: 12.89
Logp: 3.4928
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅ClIN
Molecular Weight:
289.50
Synonyms:
None
SMILES:
IC1=CC=C2C=CC(Cl)=NC2=C1
Tpsa:
12.89
Logp:
3.4928
H Acceptors:
1
H Donors:
0
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: C₆H₉ClN₂O₂
Molecular Weight: 176.60
Synonyms: None
SMILES: O=C(O)CC1=NC=CN1C.[H]Cl
Tpsa: 55.12
Logp: 0.469
H Acceptors: 3
H Donors: 1
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:
C₆H₉ClN₂O₂
Molecular Weight:
176.60
Synonyms:
None
SMILES:
O=C(O)CC1=NC=CN1C.[H]Cl
Tpsa:
55.12
Logp:
0.469
H Acceptors:
3
H Donors:
1
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: C₁₀H₁₇NO₄
Molecular Weight: 215.25
Synonyms: None
SMILES: CC(C)(C)OC(NC([C@H]1C[C@H](C1)O)=O)=O
Tpsa: 75.63
Logp: 0.8086
H Acceptors: 4
H Donors: 2
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:
C₁₀H₁₇NO₄
Molecular Weight:
215.25
Synonyms:
None
SMILES:
CC(C)(C)OC(NC([C@H]1C[C@H](C1)O)=O)=O
Tpsa:
75.63
Logp:
0.8086
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1