CS-0769054
(S)-3-Oxopentan-2-Yl benzoate
Manufacturer: ChemScene
CAS Number: 160666-92-2
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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
C₁₂H₁₄O₃
Molecular Weight
206.24
Synonyms
None
SMILES
CCC(=O)[C@H](C)OC(=O)C1=CC=CC=C1
Tpsa
43.37
Logp
2.211
H Acceptors
3
H Donors
0
Rotatable Bonds
4
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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: C₁₂H₁₄O₃
Molecular Weight: 206.24
Synonyms: None
SMILES: CCC(=O)[C@H](C)OC(=O)C1=CC=CC=C1
Tpsa: 43.37
Logp: 2.211
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄O₃
Molecular Weight:
206.24
Synonyms:
None
SMILES:
CCC(=O)[C@H](C)OC(=O)C1=CC=CC=C1
Tpsa:
43.37
Logp:
2.211
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: C₁₃H₁₈N₄
Molecular Weight: 230.31
Synonyms: None
SMILES: CC1=NC=C(C=C1)N1N=C(C=C1N)C(C)(C)C
Tpsa: 56.73
Logp: 2.45542
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₄
Molecular Weight:
230.31
Synonyms:
None
SMILES:
CC1=NC=C(C=C1)N1N=C(C=C1N)C(C)(C)C
Tpsa:
56.73
Logp:
2.45542
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₅NO₂
Molecular Weight: 193.24
Synonyms: None
SMILES: CCOC(=O)C(C)C1=CC=C(N)C=C1
Tpsa: 52.32
Logp: 1.9354
H Acceptors: 3
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:
C₁₁H₁₅NO₂
Molecular Weight:
193.24
Synonyms:
None
SMILES:
CCOC(=O)C(C)C1=CC=C(N)C=C1
Tpsa:
52.32
Logp:
1.9354
H Acceptors:
3
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: C₉H₅N₃O₆
Molecular Weight: 251.15
Synonyms: None
SMILES: OC(=O)C1=C2NC(=O)NC(=O)C2=CC(=C1)[N+]([O-])=O
Tpsa: 146.16
Logp: -0.1772
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅N₃O₆
Molecular Weight:
251.15
Synonyms:
None
SMILES:
OC(=O)C1=C2NC(=O)NC(=O)C2=CC(=C1)[N+]([O-])=O
Tpsa:
146.16
Logp:
-0.1772
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
2