CS-1003932
4-((2-Ethylhexyl)Oxy)-4-Oxobut-2-Enoic Acid
Manufacturer: ChemScene
CAS Number: 45173-95-3
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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
C₁₂H₂₀O₄
Molecular Weight
228.28
Synonyms
None
SMILES
O=C(O)C=CC(=O)OCC(CC)CCCC
Tpsa
63.6
Logp
2.3868
H Acceptors
3
H Donors
1
Rotatable Bonds
8
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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: C₁₂H₂₀O₄
Molecular Weight: 228.28
Synonyms: None
SMILES: O=C(O)C=CC(=O)OCC(CC)CCCC
Tpsa: 63.6
Logp: 2.3868
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₀O₄
Molecular Weight:
228.28
Synonyms:
None
SMILES:
O=C(O)C=CC(=O)OCC(CC)CCCC
Tpsa:
63.6
Logp:
2.3868
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₅N₂O₂P
Molecular Weight: 284.33
Synonyms: None
SMILES: O=P(OC=1C=CC=CC1)(N(CC)CC)N(CC)CC
Tpsa: 32.78
Logp: 3.8571
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₅N₂O₂P
Molecular Weight:
284.33
Synonyms:
None
SMILES:
O=P(OC=1C=CC=CC1)(N(CC)CC)N(CC)CC
Tpsa:
32.78
Logp:
3.8571
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₃NO₄
Molecular Weight: 293.36
Synonyms: None
SMILES: O=C(OC(C)(C)C)NC(C(=O)OCC)CC=1C=CC=CC1
Tpsa: 64.63
Logp: 2.6855
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₃NO₄
Molecular Weight:
293.36
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NC(C(=O)OCC)CC=1C=CC=CC1
Tpsa:
64.63
Logp:
2.6855
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇N
Molecular Weight: 187.28
Synonyms: None
SMILES: C([C@@H](N(CC#C)C)C)C1=CC=CC=C1
Tpsa: 3.24
Logp: 2.1826
H Acceptors: 1
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:
C₁₃H₁₇N
Molecular Weight:
187.28
Synonyms:
None
SMILES:
C([C@@H](N(CC#C)C)C)C1=CC=CC=C1
Tpsa:
3.24
Logp:
2.1826
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
4