CS-0374572
Methyl 4-(cyanocarbonyl)benzoate
Manufacturer: ChemScene
CAS Number: 198978-34-6
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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
C₁₀H₇NO₃
Molecular Weight
189.17
Synonyms
Benzoic acid, 4-(cyanocarbonyl)-, methyl ester
SMILES
O=C(OC)C1=CC=C(C(C#N)=O)C=C1
Tpsa
67.16
Logp
1.17948
H Acceptors
4
H Donors
0
Rotatable Bonds
2
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: C₁₀H₇NO₃
Molecular Weight: 189.17
Synonyms: Benzoic acid, 4-(cyanocarbonyl)-, methyl ester
SMILES: O=C(OC)C1=CC=C(C(C#N)=O)C=C1
Tpsa: 67.16
Logp: 1.17948
H Acceptors: 4
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:
C₁₀H₇NO₃
Molecular Weight:
189.17
Synonyms:
Benzoic acid, 4-(cyanocarbonyl)-, methyl ester
SMILES:
O=C(OC)C1=CC=C(C(C#N)=O)C=C1
Tpsa:
67.16
Logp:
1.17948
H Acceptors:
4
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: C₁₉H₁₈ClNO₃
Molecular Weight: 343.80
Synonyms: None
SMILES: O=C(N(C(OC1)=O)[C@@H]1CC2=CC=CC=C2)[C@H](C)C3=CC=CC(Cl)=C3
Tpsa: 46.61
Logp: 4.0336
H Acceptors: 3
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:
C₁₉H₁₈ClNO₃
Molecular Weight:
343.80
Synonyms:
None
SMILES:
O=C(N(C(OC1)=O)[C@@H]1CC2=CC=CC=C2)[C@H](C)C3=CC=CC(Cl)=C3
Tpsa:
46.61
Logp:
4.0336
H Acceptors:
3
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: C₁₀H₉N₃O₃
Molecular Weight: 219.20
Synonyms: Methyl 4-(azidoacetyl)benzoate
SMILES: O=C(OC)C1=CC=C(C(CN=[N+]=[N-])=O)C=C1
Tpsa: 92.13
Logp: 1.9662
H Acceptors: 4
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:
C₁₀H₉N₃O₃
Molecular Weight:
219.20
Synonyms:
Methyl 4-(azidoacetyl)benzoate
SMILES:
O=C(OC)C1=CC=C(C(CN=[N+]=[N-])=O)C=C1
Tpsa:
92.13
Logp:
1.9662
H Acceptors:
4
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: C₈H₁₁N
Molecular Weight: 121.18
Synonyms: None
SMILES: N#CC1(C2CCC2)CC1
Tpsa: 23.79
Logp: 2.09028
H Acceptors: 1
H Donors: 0
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:
C₈H₁₁N
Molecular Weight:
121.18
Synonyms:
None
SMILES:
N#CC1(C2CCC2)CC1
Tpsa:
23.79
Logp:
2.09028
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1