CS-0545121
4-(2-Methoxyacetyl)-1,4-oxazepane-6-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1316227-18-5
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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
C₉H₁₅NO₅
Molecular Weight
217.22
Synonyms
4-(2-Methoxy-acetyl)-[1,4]oxazepane-6-carboxylic acid
SMILES
COCC(=O)N1CCOCC(C1)C(=O)O
Tpsa
76.07
Logp
-0.8076
H Acceptors
4
H Donors
1
Rotatable Bonds
3
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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: C₉H₁₅NO₅
Molecular Weight: 217.22
Synonyms: 4-(2-Methoxy-acetyl)-[1,4]oxazepane-6-carboxylic acid
SMILES: COCC(=O)N1CCOCC(C1)C(=O)O
Tpsa: 76.07
Logp: -0.8076
H Acceptors: 4
H Donors: 1
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:
C₉H₁₅NO₅
Molecular Weight:
217.22
Synonyms:
4-(2-Methoxy-acetyl)-[1,4]oxazepane-6-carboxylic acid
SMILES:
COCC(=O)N1CCOCC(C1)C(=O)O
Tpsa:
76.07
Logp:
-0.8076
H Acceptors:
4
H Donors:
1
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: C₁₆H₁₄O₄
Molecular Weight: 270.28
Synonyms: 11-hydroxy-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylicacidmethylester
SMILES: O=C(C1=CC=C2OCC3=CC=CC=C3C(O)C2=C1)OC
Tpsa: 55.76
Logp: 2.4473
H Acceptors: 4
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:
C₁₆H₁₄O₄
Molecular Weight:
270.28
Synonyms:
11-hydroxy-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylicacidmethylester
SMILES:
O=C(C1=CC=C2OCC3=CC=CC=C3C(O)C2=C1)OC
Tpsa:
55.76
Logp:
2.4473
H Acceptors:
4
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: C₁₆H₁₄N₂O₂
Molecular Weight: 266.29
Synonyms: None
SMILES: COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC=C3
Tpsa: 54.12
Logp: 3.4288
H Acceptors: 2
H Donors: 2
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:
C₁₆H₁₄N₂O₂
Molecular Weight:
266.29
Synonyms:
None
SMILES:
COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC=C3
Tpsa:
54.12
Logp:
3.4288
H Acceptors:
2
H Donors:
2
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: C₁₀H₅ClF₃N₃O₂
Molecular Weight: 291.61
Synonyms: 1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2,4(1H,3H)-PYRIMIDINEDIONE
SMILES: C1=CN(C(=O)NC1=O)C2=C(C=C(C=N2)C(F)(F)F)Cl
Tpsa: 67.75
Logp: 1.593
H Acceptors: 4
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:
C₁₀H₅ClF₃N₃O₂
Molecular Weight:
291.61
Synonyms:
1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2,4(1H,3H)-PYRIMIDINEDIONE
SMILES:
C1=CN(C(=O)NC1=O)C2=C(C=C(C=N2)C(F)(F)F)Cl
Tpsa:
67.75
Logp:
1.593
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1