CS-1022414
5-Methyl-1-oxoisochromane-3-carbonitrile
Manufacturer: ChemScene
CAS Number: 1603042-30-3
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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
C₁₁H₉NO₂
Molecular Weight
187.19
Synonyms
None
SMILES
N#CC1OC(=O)C2=CC=CC(=C2C1)C
Tpsa
50.09
Logp
1.6001
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₉NO₂
Molecular Weight: 187.19
Synonyms: None
SMILES: N#CC1OC(=O)C2=CC=CC(=C2C1)C
Tpsa: 50.09
Logp: 1.6001
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₉NO₂
Molecular Weight:
187.19
Synonyms:
None
SMILES:
N#CC1OC(=O)C2=CC=CC(=C2C1)C
Tpsa:
50.09
Logp:
1.6001
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₀N₂O₃
Molecular Weight: 182.18
Synonyms: None
SMILES: O=C(O)C1=CNN=C1C2COCC2
Tpsa: 75.21
Logp: 0.6118
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:
C₈H₁₀N₂O₃
Molecular Weight:
182.18
Synonyms:
None
SMILES:
O=C(O)C1=CNN=C1C2COCC2
Tpsa:
75.21
Logp:
0.6118
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: C₆H₁₂N₄O
Molecular Weight: 156.19
Synonyms: None
SMILES: OCC(C)CN1N=C(N=C1)N
Tpsa: 76.96
Logp: -0.5113
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₂N₄O
Molecular Weight:
156.19
Synonyms:
None
SMILES:
OCC(C)CN1N=C(N=C1)N
Tpsa:
76.96
Logp:
-0.5113
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₅BrS
Molecular Weight: 223.17
Synonyms: None
SMILES: BrCC1(CCSCC)CC1
Tpsa: 0
Logp: 3.3047
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₅BrS
Molecular Weight:
223.17
Synonyms:
None
SMILES:
BrCC1(CCSCC)CC1
Tpsa:
0
Logp:
3.3047
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
5