CS-0117814
3-[(1E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid
Manufacturer: ChemScene
CAS Number: 91047-79-9
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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
C₁₂H₁₂O₄
Molecular Weight
220.22
Synonyms
None
SMILES
O=C(O)C1=CC=CC(/C=C/C(OCC)=O)=C1
Tpsa
63.6
Logp
1.9611
H Acceptors
3
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 91047-79-9 | Benzoic acid, 3-[(1E)-3-ethoxy-3-oxo-1-propen-1-yl]- | A2B Chem | -- |
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: C₁₂H₁₂O₄
Molecular Weight: 220.22
Synonyms: None
SMILES: O=C(O)C1=CC=CC(/C=C/C(OCC)=O)=C1
Tpsa: 63.6
Logp: 1.9611
H Acceptors: 3
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:
C₁₂H₁₂O₄
Molecular Weight:
220.22
Synonyms:
None
SMILES:
O=C(O)C1=CC=CC(/C=C/C(OCC)=O)=C1
Tpsa:
63.6
Logp:
1.9611
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: MFCD00191761
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₁NO₃
Molecular Weight: 145.16
Synonyms: 1H,3H,5H-Oxazolo[3,4-c]oxazole-7a(7H)-methanol
SMILES: OCC12N(COC2)COC1
Tpsa: 41.93
Logp: -1.0051
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD00191761
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₁NO₃
Molecular Weight:
145.16
Synonyms:
1H,3H,5H-Oxazolo[3,4-c]oxazole-7a(7H)-methanol
SMILES:
OCC12N(COC2)COC1
Tpsa:
41.93
Logp:
-1.0051
H Acceptors:
4
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: C₁₃H₁₂ClNO₂
Molecular Weight: 249.69
Synonyms: None
SMILES: O=C(C1=CC(C2=CC=C(Cl)C=C2)=CN1)OCC
Tpsa: 42.09
Logp: 3.5118
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:
C₁₃H₁₂ClNO₂
Molecular Weight:
249.69
Synonyms:
None
SMILES:
O=C(C1=CC(C2=CC=C(Cl)C=C2)=CN1)OCC
Tpsa:
42.09
Logp:
3.5118
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: C₁₁H₈N₂O₄
Molecular Weight: 232.19
Synonyms: None
SMILES: O=C(C1=NC2=C([N+]([O-])=O)C=CC=C2C=C1)OC
Tpsa: 82.33
Logp: 1.9296
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₈N₂O₄
Molecular Weight:
232.19
Synonyms:
None
SMILES:
O=C(C1=NC2=C([N+]([O-])=O)C=CC=C2C=C1)OC
Tpsa:
82.33
Logp:
1.9296
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2