CS-1090456
Methyl 4-cyano-3-oxobutanoate
Manufacturer: ChemScene
CAS Number: 419572-99-9
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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
C₆H₇NO₃
Molecular Weight
141.12
Synonyms
None
SMILES
N#CCC(=O)CC(=O)OC
Tpsa
67.16
Logp
0.03228
H Acceptors
4
H Donors
0
Rotatable Bonds
3
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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: C₆H₇NO₃
Molecular Weight: 141.12
Synonyms: None
SMILES: N#CCC(=O)CC(=O)OC
Tpsa: 67.16
Logp: 0.03228
H Acceptors: 4
H Donors: 0
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:
C₆H₇NO₃
Molecular Weight:
141.12
Synonyms:
None
SMILES:
N#CCC(=O)CC(=O)OC
Tpsa:
67.16
Logp:
0.03228
H Acceptors:
4
H Donors:
0
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: C₈H₁₂O₃
Molecular Weight: 156.18
Synonyms: None
SMILES: C(O)(=O)[C@H]1[C@]2(O[C@](CC2)(CC1)[H])[H]
Tpsa: 46.53
Logp: 1.0286
H Acceptors: 2
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:
C₈H₁₂O₃
Molecular Weight:
156.18
Synonyms:
None
SMILES:
C(O)(=O)[C@H]1[C@]2(O[C@](CC2)(CC1)[H])[H]
Tpsa:
46.53
Logp:
1.0286
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₅NO₃
Molecular Weight: 257.28
Synonyms: None
SMILES: O(C1=CC=C(C=C1)CNC2=CC=C3OCOC3=C2)C
Tpsa: 39.72
Logp: 3.036
H Acceptors: 4
H Donors: 1
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:
C₁₅H₁₅NO₃
Molecular Weight:
257.28
Synonyms:
None
SMILES:
O(C1=CC=C(C=C1)CNC2=CC=C3OCOC3=C2)C
Tpsa:
39.72
Logp:
3.036
H Acceptors:
4
H Donors:
1
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: C₉H₇N₃O₄
Molecular Weight: 221.17
Synonyms: None
SMILES: O=C(O)CN1C(=O)NC2=NC=CC=C2C1=O
Tpsa: 105.05
Logp: -0.8306
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇N₃O₄
Molecular Weight:
221.17
Synonyms:
None
SMILES:
O=C(O)CN1C(=O)NC2=NC=CC=C2C1=O
Tpsa:
105.05
Logp:
-0.8306
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2