CS-1003478
2,5-Cyclohexadiene-1-propanoic acid, 1-carboxy-4-hydroxy-α-oxo-, barium salt 1:1
Manufacturer: ChemScene
CAS Number: 2931-08-0
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Purity
≥75%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₁₀BaO₆
Molecular Weight
363.51
Synonyms
None
SMILES
[Ba].O=C(O)C(=O)CC1(C=CC(O)C=C1)C(=O)O
Tpsa
111.9
Logp
-0.7927
H Acceptors
4
H Donors
3
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | Prephenic acid barium salt | Sigma Aldrich | ₹ 22,321.15 - ₹ 51,462.05 | |
 | 2931-08-0 | 2,5-Cyclohexadiene-1-propanoic acid, 1-carboxy-4-hydroxy-α-oxo-, barium salt (1:1) | A2B Chem | -- |
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https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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Purity: ≥75%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀BaO₆
Molecular Weight: 363.51
Synonyms: None
SMILES: [Ba].O=C(O)C(=O)CC1(C=CC(O)C=C1)C(=O)O
Tpsa: 111.9
Logp: -0.7927
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 4
Purity:
≥75%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀BaO₆
Molecular Weight:
363.51
Synonyms:
None
SMILES:
[Ba].O=C(O)C(=O)CC1(C=CC(O)C=C1)C(=O)O
Tpsa:
111.9
Logp:
-0.7927
H Acceptors:
4
H Donors:
3
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: C₇H₁₅NO₅
Molecular Weight: 193.20
Synonyms: None
SMILES: C(O)[C@H]1OC(NC)[C@H](O)[C@@H](O)[C@@H]1O
Tpsa: 102.18
Logp: -2.9943
H Acceptors: 6
H Donors: 5
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:
C₇H₁₅NO₅
Molecular Weight:
193.20
Synonyms:
None
SMILES:
C(O)[C@H]1OC(NC)[C@H](O)[C@@H](O)[C@@H]1O
Tpsa:
102.18
Logp:
-2.9943
H Acceptors:
6
H Donors:
5
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: C₂₀H₂₃NO₅
Molecular Weight: 357.40
Synonyms: None
SMILES: O[C@]12[C@@]34C=5C(O[C@]3(C(=O)CC1)[H])=C(OC)C=CC5[C@H](O)[C@]2(N(CC=C)CC4)[H]
Tpsa: 79.23
Logp: 1.0953
H Acceptors: 6
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:
C₂₀H₂₃NO₅
Molecular Weight:
357.40
Synonyms:
None
SMILES:
O[C@]12[C@@]34C=5C(O[C@]3(C(=O)CC1)[H])=C(OC)C=CC5[C@H](O)[C@]2(N(CC=C)CC4)[H]
Tpsa:
79.23
Logp:
1.0953
H Acceptors:
6
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: C₉H₁₂F₂N₂O₆
Molecular Weight: 282.20
Synonyms: None
SMILES: FC1(F)[C@@H](O[C@H](CO)[C@H]1O)N2[C@H](O)CC(=O)NC2=O
Tpsa: 119.33
Logp: -2.0399
H Acceptors: 6
H Donors: 4
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:
C₉H₁₂F₂N₂O₆
Molecular Weight:
282.20
Synonyms:
None
SMILES:
FC1(F)[C@@H](O[C@H](CO)[C@H]1O)N2[C@H](O)CC(=O)NC2=O
Tpsa:
119.33
Logp:
-2.0399
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
2