CS-1101662
2,3,3a,4,7,7a-Hexahydro-1,3-dioxo-1H-isoindole-5-carbonitrile
Manufacturer: ChemScene
CAS Number: 122131-81-1
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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
C₉H₈N₂O₂
Molecular Weight
176.17
Synonyms
None
SMILES
N#CC1=CCC2C(NC(C2C1)=O)=O
Tpsa
69.96
Logp
0.11898
H Acceptors
3
H Donors
1
Rotatable Bonds
0
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: C₉H₈N₂O₂
Molecular Weight: 176.17
Synonyms: None
SMILES: N#CC1=CCC2C(NC(C2C1)=O)=O
Tpsa: 69.96
Logp: 0.11898
H Acceptors: 3
H Donors: 1
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:
C₉H₈N₂O₂
Molecular Weight:
176.17
Synonyms:
None
SMILES:
N#CC1=CCC2C(NC(C2C1)=O)=O
Tpsa:
69.96
Logp:
0.11898
H Acceptors:
3
H Donors:
1
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: C₁₇H₂₃NO₈
Molecular Weight: 369.37
Synonyms: None
SMILES: O=C(NC(COCCC(O)=O)COCCC(O)=O)OCC1=CC=CC=C1
Tpsa: 131.39
Logp: 1.264
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₃NO₈
Molecular Weight:
369.37
Synonyms:
None
SMILES:
O=C(NC(COCCC(O)=O)COCCC(O)=O)OCC1=CC=CC=C1
Tpsa:
131.39
Logp:
1.264
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₈BrNO
Molecular Weight: 190.04
Synonyms: None
SMILES: BrC(C1)=NOC21CCC2
Tpsa: 21.59
Logp: 2.0378
H Acceptors: 2
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:
C₆H₈BrNO
Molecular Weight:
190.04
Synonyms:
None
SMILES:
BrC(C1)=NOC21CCC2
Tpsa:
21.59
Logp:
2.0378
H Acceptors:
2
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: C₂₀H₁₉F₂NO₄
Molecular Weight: 375.37
Synonyms: None
SMILES: O=C(C(CC(F)F)N(C)C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)O
Tpsa: 66.84
Logp: 3.9757
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₉F₂NO₄
Molecular Weight:
375.37
Synonyms:
None
SMILES:
O=C(C(CC(F)F)N(C)C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)O
Tpsa:
66.84
Logp:
3.9757
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6