CS-0868045
3,3-Dimethyl-1-oxo-1,3-dihydroisobenzofuran-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 168060-86-4
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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
C₁₁H₁₀O₄
Molecular Weight
206.19
Synonyms
None
SMILES
O=C(C1=CC2=C(C(OC2(C)C)=O)C=C1)O
Tpsa
63.6
Logp
1.7903
H Acceptors
3
H Donors
1
Rotatable Bonds
1
Related Products
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: C₁₁H₁₀O₄
Molecular Weight: 206.19
Synonyms: None
SMILES: O=C(C1=CC2=C(C(OC2(C)C)=O)C=C1)O
Tpsa: 63.6
Logp: 1.7903
H Acceptors: 3
H Donors: 1
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:
C₁₁H₁₀O₄
Molecular Weight:
206.19
Synonyms:
None
SMILES:
O=C(C1=CC2=C(C(OC2(C)C)=O)C=C1)O
Tpsa:
63.6
Logp:
1.7903
H Acceptors:
3
H Donors:
1
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: C₈H₆N₄
Molecular Weight: 158.16
Synonyms: None
SMILES: N#CC1=CN=C2C=CC(N)=CN21
Tpsa: 67.11
Logp: 0.78818
H Acceptors: 4
H Donors: 1
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:
C₈H₆N₄
Molecular Weight:
158.16
Synonyms:
None
SMILES:
N#CC1=CN=C2C=CC(N)=CN21
Tpsa:
67.11
Logp:
0.78818
H Acceptors:
4
H Donors:
1
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: C₈H₇BrO₃
Molecular Weight: 231.04
Synonyms: None
SMILES: O=C(O)C1=CC(O)=CC(Br)=C1C
Tpsa: 57.53
Logp: 2.16132
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:
C₈H₇BrO₃
Molecular Weight:
231.04
Synonyms:
None
SMILES:
O=C(O)C1=CC(O)=CC(Br)=C1C
Tpsa:
57.53
Logp:
2.16132
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: C₈H₆BrClO₂
Molecular Weight: 249.49
Synonyms: None
SMILES: O=C(O)C1=CC=C(Br)C(C)=C1Cl
Tpsa: 37.3
Logp: 3.10912
H Acceptors: 1
H Donors: 1
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:
C₈H₆BrClO₂
Molecular Weight:
249.49
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(Br)C(C)=C1Cl
Tpsa:
37.3
Logp:
3.10912
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1