CS-0214221
Methyl 4-(5-methyl-2-nitrophenyl)-3-oxobutanoate
Manufacturer: ChemScene
CAS Number: 2355306-48-6
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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
C₁₂H₁₃NO₅
Molecular Weight
251.24
Synonyms
None
SMILES
O=C(OC)CC(CC1=CC(C)=CC=C1[N+]([O-])=O)=O
Tpsa
86.51
Logp
1.57792
H Acceptors
5
H Donors
0
Rotatable Bonds
5
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃NO₅
Molecular Weight: 251.24
Synonyms: None
SMILES: O=C(OC)CC(CC1=CC(C)=CC=C1[N+]([O-])=O)=O
Tpsa: 86.51
Logp: 1.57792
H Acceptors: 5
H Donors: 0
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:
C₁₂H₁₃NO₅
Molecular Weight:
251.24
Synonyms:
None
SMILES:
O=C(OC)CC(CC1=CC(C)=CC=C1[N+]([O-])=O)=O
Tpsa:
86.51
Logp:
1.57792
H Acceptors:
5
H Donors:
0
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: C₁₂H₁₂ClNO₃
Molecular Weight: 253.68
Synonyms: None
SMILES: O=C1NC2=CC=C(C=C2CC3(C1)OCCO3)Cl
Tpsa: 47.56
Logp: 1.9678
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:
C₁₂H₁₂ClNO₃
Molecular Weight:
253.68
Synonyms:
None
SMILES:
O=C1NC2=CC=C(C=C2CC3(C1)OCCO3)Cl
Tpsa:
47.56
Logp:
1.9678
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: C₁₃H₁₈O₄
Molecular Weight: 238.28
Synonyms: None
SMILES: CC(C)(OC1=CC=C(CO)C=C1)C(OCC)=O
Tpsa: 55.76
Logp: 1.8994
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:
C₁₃H₁₈O₄
Molecular Weight:
238.28
Synonyms:
None
SMILES:
CC(C)(OC1=CC=C(CO)C=C1)C(OCC)=O
Tpsa:
55.76
Logp:
1.8994
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: C₁₄H₁₈O₄S
Molecular Weight: 282.36
Synonyms: None
SMILES: O[C@@H]1[C@]2([H])[C@@](CO[C@H]1SC3=CC=CC=C3)([H])OC(C)(O2)C
Tpsa: 47.92
Logp: 2.016
H Acceptors: 5
H Donors: 1
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:
C₁₄H₁₈O₄S
Molecular Weight:
282.36
Synonyms:
None
SMILES:
O[C@@H]1[C@]2([H])[C@@](CO[C@H]1SC3=CC=CC=C3)([H])OC(C)(O2)C
Tpsa:
47.92
Logp:
2.016
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2