CS-1161443
Ethyl 5-oxo-2,3,4,5-tetrahydrobenzo[b]oxepine-4-carboxylate
Manufacturer: ChemScene
CAS Number: 251554-29-7
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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
C₁₃H₁₄O₄
Molecular Weight
234.25
Synonyms
None
SMILES
O=C(OCC)C1C(=O)C=2C=CC=CC2OCC1
Tpsa
52.6
Logp
1.8311
H Acceptors
4
H Donors
0
Rotatable Bonds
2
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: C₁₃H₁₄O₄
Molecular Weight: 234.25
Synonyms: None
SMILES: O=C(OCC)C1C(=O)C=2C=CC=CC2OCC1
Tpsa: 52.6
Logp: 1.8311
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₄O₄
Molecular Weight:
234.25
Synonyms:
None
SMILES:
O=C(OCC)C1C(=O)C=2C=CC=CC2OCC1
Tpsa:
52.6
Logp:
1.8311
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₄N₂
Molecular Weight: 138.21
Synonyms: None
SMILES: N=1C=C(NC1C(C)(C)C)C
Tpsa: 28.68
Logp: 2.01562
H Acceptors: 1
H Donors: 1
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:
C₈H₁₄N₂
Molecular Weight:
138.21
Synonyms:
None
SMILES:
N=1C=C(NC1C(C)(C)C)C
Tpsa:
28.68
Logp:
2.01562
H Acceptors:
1
H Donors:
1
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: C₉H₁₁BrO
Molecular Weight: 215.09
Synonyms: None
SMILES: BrC1=CC=CC(=C1)C(OC)C
Tpsa: 9.23
Logp: 3.1565
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁BrO
Molecular Weight:
215.09
Synonyms:
None
SMILES:
BrC1=CC=CC(=C1)C(OC)C
Tpsa:
9.23
Logp:
3.1565
H Acceptors:
1
H Donors:
0
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: C₁₁H₁₃N₃S₂
Molecular Weight: 251.37
Synonyms: None
SMILES: N#CN=C(SC1=CC=C(C=C1)N(C)C)SC
Tpsa: 39.39
Logp: 3.04478
H Acceptors: 5
H Donors: 0
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:
C₁₁H₁₃N₃S₂
Molecular Weight:
251.37
Synonyms:
None
SMILES:
N#CN=C(SC1=CC=C(C=C1)N(C)C)SC
Tpsa:
39.39
Logp:
3.04478
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2