CS-0531471
3-Methylbenzo[d]isoxazole-6-carboxylic acid
Manufacturer: ChemScene
CAS Number: 478169-72-1
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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
C₉H₇NO₃
Molecular Weight
177.16
Synonyms
3-Methyl-1,2-benzoxazole-6-carboxylic acid
SMILES
O=C(C1=CC2=C(C=C1)C(C)=NO2)O
Tpsa
63.33
Logp
1.83442
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-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: C₉H₇NO₃
Molecular Weight: 177.16
Synonyms: 3-Methyl-1,2-benzoxazole-6-carboxylic acid
SMILES: O=C(C1=CC2=C(C=C1)C(C)=NO2)O
Tpsa: 63.33
Logp: 1.83442
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:
C₉H₇NO₃
Molecular Weight:
177.16
Synonyms:
3-Methyl-1,2-benzoxazole-6-carboxylic acid
SMILES:
O=C(C1=CC2=C(C=C1)C(C)=NO2)O
Tpsa:
63.33
Logp:
1.83442
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: C₁₆H₂₈N₂O₃
Molecular Weight: 296.41
Synonyms: None
SMILES: O=C(C1CCC(CC1)CNC(C2CCC(CC2)CN)=O)O
Tpsa: 92.42
Logp: 1.7587
H Acceptors: 3
H Donors: 3
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:
C₁₆H₂₈N₂O₃
Molecular Weight:
296.41
Synonyms:
None
SMILES:
O=C(C1CCC(CC1)CNC(C2CCC(CC2)CN)=O)O
Tpsa:
92.42
Logp:
1.7587
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₅BrF₂N₂
Molecular Weight: 223.02
Synonyms: None
SMILES: NC1=NC=C(Br)C=C1C(F)F
Tpsa: 38.91
Logp: 2.3639
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₅BrF₂N₂
Molecular Weight:
223.02
Synonyms:
None
SMILES:
NC1=NC=C(Br)C=C1C(F)F
Tpsa:
38.91
Logp:
2.3639
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD25974002
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₃₈N₆O₂
Molecular Weight: 598.74
Synonyms: 6,6'-Methylenebis[(3RS)-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one]
SMILES: O=C1C2=C(CCC1CN3C=CN=C3C)N(C)C4=C2C=C(CC5=CC(C6=C(N7C)CCC(CN8C=CN=C8C)C6=O)=C7C=C5)C=C4
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
MFCD25974002
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₃₈N₆O₂
Molecular Weight:
598.74
Synonyms:
6,6'-Methylenebis[(3RS)-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one]
SMILES:
O=C1C2=C(CCC1CN3C=CN=C3C)N(C)C4=C2C=C(CC5=CC(C6=C(N7C)CCC(CN8C=CN=C8C)C6=O)=C7C=C5)C=C4
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A