CS-0530114
5-Hydroxy-3,3-dimethylisobenzofuran-1(3H)-one
Manufacturer: ChemScene
CAS Number: 872617-15-7
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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
C₁₀H₁₀O₃
Molecular Weight
178.18
Synonyms
None
SMILES
O=C1OC(C)(C)C2=C1C=CC(O)=C2
Tpsa
46.53
Logp
1.7977
H Acceptors
3
H Donors
1
Rotatable Bonds
0
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: C₁₀H₁₀O₃
Molecular Weight: 178.18
Synonyms: None
SMILES: O=C1OC(C)(C)C2=C1C=CC(O)=C2
Tpsa: 46.53
Logp: 1.7977
H Acceptors: 3
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:
C₁₀H₁₀O₃
Molecular Weight:
178.18
Synonyms:
None
SMILES:
O=C1OC(C)(C)C2=C1C=CC(O)=C2
Tpsa:
46.53
Logp:
1.7977
H Acceptors:
3
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: C₈H₅BrFNO
Molecular Weight: 230.03
Synonyms: 4-Bromo-5-fluoro-2-methoxy-benzonitrile
SMILES: N#CC1=CC(F)=C(Br)C=C1OC
Tpsa: 33.02
Logp: 2.46848
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:
C₈H₅BrFNO
Molecular Weight:
230.03
Synonyms:
4-Bromo-5-fluoro-2-methoxy-benzonitrile
SMILES:
N#CC1=CC(F)=C(Br)C=C1OC
Tpsa:
33.02
Logp:
2.46848
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: C₁₂H₁₄O₂
Molecular Weight: 190.24
Synonyms: 4-[3-(hydroxymethyl)phenyl]-2-methylbut-3-yn-2-ol
SMILES: OCC1=CC=CC(C#CC(C)(O)C)=C1
Tpsa: 40.46
Logp: 1.3013
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:
C₁₂H₁₄O₂
Molecular Weight:
190.24
Synonyms:
4-[3-(hydroxymethyl)phenyl]-2-methylbut-3-yn-2-ol
SMILES:
OCC1=CC=CC(C#CC(C)(O)C)=C1
Tpsa:
40.46
Logp:
1.3013
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: C₁₀H₁₀ClN₃O
Molecular Weight: 223.66
Synonyms: None
SMILES: C[C@@H](C1=C(N)C=NC2=C1N=C(Cl)C=C2)O
Tpsa: 72.03
Logp: 1.9187
H Acceptors: 4
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:
C₁₀H₁₀ClN₃O
Molecular Weight:
223.66
Synonyms:
None
SMILES:
C[C@@H](C1=C(N)C=NC2=C1N=C(Cl)C=C2)O
Tpsa:
72.03
Logp:
1.9187
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1