CS-0571422
3-(2-Methylpropylidene)isobenzofuran-1(3H)-one
Manufacturer: ChemScene
CAS Number: 88542-70-5
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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
C₁₂H₁₂O₂
Molecular Weight
188.22
Synonyms
n-Butylphthalide-031
SMILES
O=C1OC(C2=C1C=CC=C2)=CC(C)C
Tpsa
26.3
Logp
2.8539
H Acceptors
2
H Donors
0
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 88542-70-5 | 1(3H)-Isobenzofuranone,3-(2-methylpropylidene)- | A2B Chem | -- |
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: C₁₂H₁₂O₂
Molecular Weight: 188.22
Synonyms: n-Butylphthalide-031
SMILES: O=C1OC(C2=C1C=CC=C2)=CC(C)C
Tpsa: 26.3
Logp: 2.8539
H Acceptors: 2
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:
C₁₂H₁₂O₂
Molecular Weight:
188.22
Synonyms:
n-Butylphthalide-031
SMILES:
O=C1OC(C2=C1C=CC=C2)=CC(C)C
Tpsa:
26.3
Logp:
2.8539
H Acceptors:
2
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: C₆H₁₂BrN₃OS
Molecular Weight: 254.15
Synonyms: None
SMILES: NC(SC1=NOC(C)(C)C1)=N.[H]Br
Tpsa: 71.46
Logp: 1.70337
H Acceptors: 4
H Donors: 2
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:
C₆H₁₂BrN₃OS
Molecular Weight:
254.15
Synonyms:
None
SMILES:
NC(SC1=NOC(C)(C)C1)=N.[H]Br
Tpsa:
71.46
Logp:
1.70337
H Acceptors:
4
H Donors:
2
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: C₁₂H₁₃N₃O₃
Molecular Weight: 247.25
Synonyms: None
SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)N
Tpsa: 108.21
Logp: 0.8319
H Acceptors: 2
H Donors: 4
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:
C₁₂H₁₃N₃O₃
Molecular Weight:
247.25
Synonyms:
None
SMILES:
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)N
Tpsa:
108.21
Logp:
0.8319
H Acceptors:
2
H Donors:
4
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: C₁₂H₁₇ClN₂O
Molecular Weight: 240.73
Synonyms: Detomidine hydrochloride monohydrate
SMILES: CC1=C(C(=CC=C1)CC2=CN=CN2)C.O.Cl
Tpsa: 60.18
Logp: 2.21444
H Acceptors: 1
H Donors: 1
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:
C₁₂H₁₇ClN₂O
Molecular Weight:
240.73
Synonyms:
Detomidine hydrochloride monohydrate
SMILES:
CC1=C(C(=CC=C1)CC2=CN=CN2)C.O.Cl
Tpsa:
60.18
Logp:
2.21444
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2