CS-0533723
1-Cyanoisoquinoline-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 117668-29-8
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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
C₁₁H₆N₂O₂
Molecular Weight
198.18
Synonyms
None
SMILES
N#CC1=NC=C(C2=C1C=CC=C2)C(O)=O
Tpsa
73.98
Logp
1.80468
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: C₁₁H₆N₂O₂
Molecular Weight: 198.18
Synonyms: None
SMILES: N#CC1=NC=C(C2=C1C=CC=C2)C(O)=O
Tpsa: 73.98
Logp: 1.80468
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:
C₁₁H₆N₂O₂
Molecular Weight:
198.18
Synonyms:
None
SMILES:
N#CC1=NC=C(C2=C1C=CC=C2)C(O)=O
Tpsa:
73.98
Logp:
1.80468
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: C₁₂H₁₃BrO₂
Molecular Weight: 269.13
Synonyms: None
SMILES: CCOC([C@H]1[C@H](C2=CC=C(C=C2)Br)C1)=O
Tpsa: 26.3
Logp: 3.1157
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃BrO₂
Molecular Weight:
269.13
Synonyms:
None
SMILES:
CCOC([C@H]1[C@H](C2=CC=C(C=C2)Br)C1)=O
Tpsa:
26.3
Logp:
3.1157
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₁ClO₃
Molecular Weight: 402.95
Synonyms: 7-Chloromethyl Drospirenone
SMILES: C[C@@]12[C@@]3(OC(CC3)=O)[C@]4([H])[C@](C4)([H])[C@@]1([H])[C@@]5([H])[C@]([C@@]6(C(C[C@@H]5CCl)=CC(CC6)=O)C)([H])CC2
Tpsa: 43.37
Logp: 4.9149
H Acceptors: 3
H Donors: 0
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:
C₂₄H₃₁ClO₃
Molecular Weight:
402.95
Synonyms:
7-Chloromethyl Drospirenone
SMILES:
C[C@@]12[C@@]3(OC(CC3)=O)[C@]4([H])[C@](C4)([H])[C@@]1([H])[C@@]5([H])[C@]([C@@]6(C(C[C@@H]5CCl)=CC(CC6)=O)C)([H])CC2
Tpsa:
43.37
Logp:
4.9149
H Acceptors:
3
H Donors:
0
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: C₄₃H₅₈N₄O₁₃
Molecular Weight: 838.94
Synonyms: RIFAMPICIN N-OXIDE
SMILES: OC1=C2C3=C4O[C@@](C3=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(C(NC(C(O)=C2C(O)=C4C)=C1/C=N\N5CC[N+]([O-])(CC5)C)=O)/C)C)O)C)O)C)OC(C)=O)C)OC)C
Tpsa: 239.97
Logp: 4.34802
H Acceptors: 15
H Donors: 6
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₃H₅₈N₄O₁₃
Molecular Weight:
838.94
Synonyms:
RIFAMPICIN N-OXIDE
SMILES:
OC1=C2C3=C4O[C@@](C3=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(C(NC(C(O)=C2C(O)=C4C)=C1/C=N\N5CC[N+]([O-])(CC5)C)=O)/C)C)O)C)O)C)OC(C)=O)C)OC)C
Tpsa:
239.97
Logp:
4.34802
H Acceptors:
15
H Donors:
6
Rotatable Bonds:
4