CS-0914239
2-(4-((2-oxocyclopentyl)methyl)phenyl)acetic acid
Manufacturer: ChemScene
CAS Number: 68767-15-7
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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
C₁₄H₁₆O₃
Molecular Weight
232.28
Synonyms
None
SMILES
O=C(O)CC1=CC=C(C=C1)CC2C(=O)CCC2
Tpsa
54.37
Logp
2.2254
H Acceptors
2
H Donors
1
Rotatable Bonds
4
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₄H₁₆O₃
Molecular Weight: 232.28
Synonyms: None
SMILES: O=C(O)CC1=CC=C(C=C1)CC2C(=O)CCC2
Tpsa: 54.37
Logp: 2.2254
H Acceptors: 2
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:
C₁₄H₁₆O₃
Molecular Weight:
232.28
Synonyms:
None
SMILES:
O=C(O)CC1=CC=C(C=C1)CC2C(=O)CCC2
Tpsa:
54.37
Logp:
2.2254
H Acceptors:
2
H Donors:
1
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: C₁₆H₂₀O₃
Molecular Weight: 260.33
Synonyms: None
SMILES: O=C(OC)C(C1=CC=C(C=C1)CC2C(=O)CCC2)C
Tpsa: 43.37
Logp: 2.8748
H Acceptors: 3
H Donors: 0
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:
C₁₆H₂₀O₃
Molecular Weight:
260.33
Synonyms:
None
SMILES:
O=C(OC)C(C1=CC=C(C=C1)CC2C(=O)CCC2)C
Tpsa:
43.37
Logp:
2.8748
H Acceptors:
3
H Donors:
0
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: C₁₆H₁₅ClF₃N₃O
Molecular Weight: 357.76
Synonyms: None
SMILES: [Cl-].FC(F)(F)COC=1C=C[N+](C2=NC=3C=CC=CC3N2)=C(C1C)C
Tpsa: 41.79
Logp: 0.40154
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₅ClF₃N₃O
Molecular Weight:
357.76
Synonyms:
None
SMILES:
[Cl-].FC(F)(F)COC=1C=C[N+](C2=NC=3C=CC=CC3N2)=C(C1C)C
Tpsa:
41.79
Logp:
0.40154
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₅F₆N₃O₂S
Molecular Weight: 451.39
Synonyms: None
SMILES: O=S(C1=NC=2C=CC=CC2N1CC(F)(F)F)CC3=NC=CC(OCC(F)(F)F)=C3C
Tpsa: 57.01
Logp: 4.55092
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 6
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₅F₆N₃O₂S
Molecular Weight:
451.39
Synonyms:
None
SMILES:
O=S(C1=NC=2C=CC=CC2N1CC(F)(F)F)CC3=NC=CC(OCC(F)(F)F)=C3C
Tpsa:
57.01
Logp:
4.55092
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
6