CS-1167897
Methyl 3-oxo-1,3-dihydroisobenzofuran-5-carboxylate
Manufacturer: ChemScene
CAS Number: 71743-04-9
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₈O₄
Molecular Weight
192.17
Synonyms
None
SMILES
O=C(OC)C1=CC=C2C(=C1)C(=O)OC2
Tpsa
52.6
Logp
1.1436
H Acceptors
4
H Donors
0
Rotatable Bonds
1
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₈O₄
Molecular Weight: 192.17
Synonyms: None
SMILES: O=C(OC)C1=CC=C2C(=C1)C(=O)OC2
Tpsa: 52.6
Logp: 1.1436
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₈O₄
Molecular Weight:
192.17
Synonyms:
None
SMILES:
O=C(OC)C1=CC=C2C(=C1)C(=O)OC2
Tpsa:
52.6
Logp:
1.1436
H Acceptors:
4
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: C₇H₁₁N₃O
Molecular Weight: 153.19
Synonyms: None
SMILES: N=1NC2=C(C1CN)COCC2
Tpsa: 63.93
Logp: -0.0589
H Acceptors: 3
H Donors: 2
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:
C₇H₁₁N₃O
Molecular Weight:
153.19
Synonyms:
None
SMILES:
N=1NC2=C(C1CN)COCC2
Tpsa:
63.93
Logp:
-0.0589
H Acceptors:
3
H Donors:
2
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: C₉H₁₄N₂OS
Molecular Weight: 198.28
Synonyms: None
SMILES: O=C1C=C(NC(=S)N1)CC(C)(C)C
Tpsa: 48.65
Logp: 2.02109
H Acceptors: 2
H Donors: 2
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:
C₉H₁₄N₂OS
Molecular Weight:
198.28
Synonyms:
None
SMILES:
O=C1C=C(NC(=S)N1)CC(C)(C)C
Tpsa:
48.65
Logp:
2.02109
H Acceptors:
2
H Donors:
2
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: C₁₁H₁₁N₃O₂
Molecular Weight: 217.23
Synonyms: None
SMILES: O=C(O)CCC=1C=NN(C1)C2=NC=CC=C2
Tpsa: 68.01
Logp: 1.2845
H Acceptors: 4
H Donors: 1
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:
C₁₁H₁₁N₃O₂
Molecular Weight:
217.23
Synonyms:
None
SMILES:
O=C(O)CCC=1C=NN(C1)C2=NC=CC=C2
Tpsa:
68.01
Logp:
1.2845
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4