CS-1075316
4-Cyano-4-methylisochromane-6-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2677883-73-5
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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
C₁₂H₁₁NO₃
Molecular Weight
217.22
Synonyms
None
SMILES
N#CC1(C2=CC(=CC=C2COC1)C(=O)O)C
Tpsa
70.32
Logp
1.69628
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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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: C₁₂H₁₁NO₃
Molecular Weight: 217.22
Synonyms: None
SMILES: N#CC1(C2=CC(=CC=C2COC1)C(=O)O)C
Tpsa: 70.32
Logp: 1.69628
H Acceptors: 3
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:
C₁₂H₁₁NO₃
Molecular Weight:
217.22
Synonyms:
None
SMILES:
N#CC1(C2=CC(=CC=C2COC1)C(=O)O)C
Tpsa:
70.32
Logp:
1.69628
H Acceptors:
3
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: C₁₁H₁₀BrNO
Molecular Weight: 252.11
Synonyms: None
SMILES: N#CC1(C2=CC(Br)=CC=C2COC1)C
Tpsa: 33.02
Logp: 2.76058
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:
C₁₁H₁₀BrNO
Molecular Weight:
252.11
Synonyms:
None
SMILES:
N#CC1(C2=CC(Br)=CC=C2COC1)C
Tpsa:
33.02
Logp:
2.76058
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: C₈H₇BrIN₃
Molecular Weight: 351.97
Synonyms: None
SMILES: BrC=1N=C2C(C(I)=NN2C)=C(C1)C
Tpsa: 30.71
Logp: 2.64382
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:
C₈H₇BrIN₃
Molecular Weight:
351.97
Synonyms:
None
SMILES:
BrC=1N=C2C(C(I)=NN2C)=C(C1)C
Tpsa:
30.71
Logp:
2.64382
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: C₉H₁₃ClN₂O₃
Molecular Weight: 232.66
Synonyms: None
SMILES: O=C(N1N=C(OC(CCl)COC)C=C1)C
Tpsa: 53.35
Logp: 1.1758
H Acceptors: 5
H Donors: 0
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:
C₉H₁₃ClN₂O₃
Molecular Weight:
232.66
Synonyms:
None
SMILES:
O=C(N1N=C(OC(CCl)COC)C=C1)C
Tpsa:
53.35
Logp:
1.1758
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5