CS-0120198
Isatropolone A
Manufacturer: ChemScene
CAS Number: 2097813-40-4
The price for this product is unavailable. Please request a quote
Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₄H₂₄O₉
Molecular Weight
456.44
Synonyms
None
SMILES
O=C(C=C1C2=C3OC(C)=CC2=C(C1=O)C(CCC)=O)C4=C3O[C@]5([C@@]4([C@@H]([C@@H]([C@H](O5)C)OC)O)O)[H]
Tpsa
128.59
Logp
1.3628
H Acceptors
9
H Donors
2
Rotatable Bonds
4
Related Products
SAFETY INFORMATION
Compare Similar Items
Show Difference
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₄O₉
Molecular Weight: 456.44
Synonyms: None
SMILES: O=C(C=C1C2=C3OC(C)=CC2=C(C1=O)C(CCC)=O)C4=C3O[C@]5([C@@]4([C@@H]([C@@H]([C@H](O5)C)OC)O)O)[H]
Tpsa: 128.59
Logp: 1.3628
H Acceptors: 9
H Donors: 2
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:
C₂₄H₂₄O₉
Molecular Weight:
456.44
Synonyms:
None
SMILES:
O=C(C=C1C2=C3OC(C)=CC2=C(C1=O)C(CCC)=O)C4=C3O[C@]5([C@@]4([C@@H]([C@@H]([C@H](O5)C)OC)O)O)[H]
Tpsa:
128.59
Logp:
1.3628
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₄N₂O
Molecular Weight: 166.22
Synonyms: 3-tert-butyl-1-methyl-1H-pyrazole-4-carbaldehyde
SMILES: O=CC1=CN(C)N=C1C(C)(C)C
Tpsa: 34.89
Logp: 1.5301
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₄N₂O
Molecular Weight:
166.22
Synonyms:
3-tert-butyl-1-methyl-1H-pyrazole-4-carbaldehyde
SMILES:
O=CC1=CN(C)N=C1C(C)(C)C
Tpsa:
34.89
Logp:
1.5301
H Acceptors:
3
H Donors:
0
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: C₈H₅F₂NO₄
Molecular Weight: 217.13
Synonyms: Benzoic acid, 2,5-difluoro-3-nitro-, methyl ester
SMILES: O=C(OC)C1=CC(F)=CC([N+]([O-])=O)=C1F
Tpsa: 69.44
Logp: 1.6596
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:
C₈H₅F₂NO₄
Molecular Weight:
217.13
Synonyms:
Benzoic acid, 2,5-difluoro-3-nitro-, methyl ester
SMILES:
O=C(OC)C1=CC(F)=CC([N+]([O-])=O)=C1F
Tpsa:
69.44
Logp:
1.6596
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 95+%
MDL No: MFCD12412139
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇F₂NO₅
Molecular Weight: 247.15
Synonyms: Benzoic acid, 4-(difluoromethoxy)-3-nitro-, methyl ester
SMILES: O=C(OC)C1=CC=C(OC(F)F)C([N+]([O-])=O)=C1
Tpsa: 78.67
Logp: 1.9828
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 4
Purity:
95+%
MDL No:
MFCD12412139
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇F₂NO₅
Molecular Weight:
247.15
Synonyms:
Benzoic acid, 4-(difluoromethoxy)-3-nitro-, methyl ester
SMILES:
O=C(OC)C1=CC=C(OC(F)F)C([N+]([O-])=O)=C1
Tpsa:
78.67
Logp:
1.9828
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4