CS-1003472
Theophylline Impurity 10
Manufacturer: ChemScene
CAS Number: 29214-62-8
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₈H₁₂O₄
Molecular Weight
172.18
Synonyms
None
SMILES
O=C(OCC)C=C(OC(=O)C)C
Tpsa
52.6
Logp
1.0164
H Acceptors
4
H Donors
0
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 29214-62-8 | 2-Butenoic acid, 3-(acetyloxy)-, ethyl ester | A2B Chem | ₹ 1,42,628.52 |
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂O₄
Molecular Weight: 172.18
Synonyms: None
SMILES: O=C(OCC)C=C(OC(=O)C)C
Tpsa: 52.6
Logp: 1.0164
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂O₄
Molecular Weight:
172.18
Synonyms:
None
SMILES:
O=C(OCC)C=C(OC(=O)C)C
Tpsa:
52.6
Logp:
1.0164
H Acceptors:
4
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: C₉H₁₈ClI
Molecular Weight: 288.60
Synonyms: None
SMILES: ClCCCCCCCCCI
Tpsa: 0
Logp: 4.3909
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₈ClI
Molecular Weight:
288.60
Synonyms:
None
SMILES:
ClCCCCCCCCCI
Tpsa:
0
Logp:
4.3909
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₂₄N₄O₈
Molecular Weight: 568.53
Synonyms: None
SMILES: O=C1OC(=C(O1)COC(=O)C=2C=CC=C3NC(=O)N(C32)CC=4C=CC(=CC4)C=5C=CC=CC5C6=NOC(=O)N6CC)C
Tpsa: 155.47
Logp: 4.09312
H Acceptors: 11
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₂₄N₄O₈
Molecular Weight:
568.53
Synonyms:
None
SMILES:
O=C1OC(=C(O1)COC(=O)C=2C=CC=C3NC(=O)N(C32)CC=4C=CC(=CC4)C=5C=CC=CC5C6=NOC(=O)N6CC)C
Tpsa:
155.47
Logp:
4.09312
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₁FO₇
Molecular Weight: 464.44
Synonyms: None
SMILES: O(C(=O)C1=CC=CC=C1)[C@H]2[C@@H](OC(=O)C3=CC=CC=C3)[C@H](F)O[C@@H]2COC(=O)C4=CC=CC=C4
Tpsa: 88.13
Logp: 3.989
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₁FO₇
Molecular Weight:
464.44
Synonyms:
None
SMILES:
O(C(=O)C1=CC=CC=C1)[C@H]2[C@@H](OC(=O)C3=CC=CC=C3)[C@H](F)O[C@@H]2COC(=O)C4=CC=CC=C4
Tpsa:
88.13
Logp:
3.989
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
7