CS-0311562
3-(4-Acetylphenyl)-3-oxopropanenitrile
Manufacturer: ChemScene
CAS Number: 1307311-51-8
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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
C₁₁H₉NO₂
Molecular Weight
187.19
Synonyms
None
SMILES
N#CCC(C1=CC=C(C(C)=O)C=C1)=O
Tpsa
57.93
Logp
1.98558
H Acceptors
3
H Donors
0
Rotatable Bonds
3
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: C₁₁H₉NO₂
Molecular Weight: 187.19
Synonyms: None
SMILES: N#CCC(C1=CC=C(C(C)=O)C=C1)=O
Tpsa: 57.93
Logp: 1.98558
H Acceptors: 3
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:
C₁₁H₉NO₂
Molecular Weight:
187.19
Synonyms:
None
SMILES:
N#CCC(C1=CC=C(C(C)=O)C=C1)=O
Tpsa:
57.93
Logp:
1.98558
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 95%
MDL No: MFCD14660419
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₇NOS
Molecular Weight: 201.24
Synonyms: 3-(1-Benzothiophen-2-yl)-3-oxopropanenitrile
SMILES: N#CCC(C1=CC2=C(C=CC=C2)S1)=O
Tpsa: 40.86
Logp: 2.99768
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
MFCD14660419
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₇NOS
Molecular Weight:
201.24
Synonyms:
3-(1-Benzothiophen-2-yl)-3-oxopropanenitrile
SMILES:
N#CCC(C1=CC2=C(C=CC=C2)S1)=O
Tpsa:
40.86
Logp:
2.99768
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 97%
MDL No: MFCD06357384
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃NO
Molecular Weight: 187.24
Synonyms: 4-(1-METHYLETHYL)-BETA-OXO-BENZENEPROPANENITRILE
SMILES: N#CCC(C1=CC=C(C(C)C)C=C1)=O
Tpsa: 40.86
Logp: 2.90638
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
97%
MDL No:
MFCD06357384
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃NO
Molecular Weight:
187.24
Synonyms:
4-(1-METHYLETHYL)-BETA-OXO-BENZENEPROPANENITRILE
SMILES:
N#CCC(C1=CC=C(C(C)C)C=C1)=O
Tpsa:
40.86
Logp:
2.90638
H Acceptors:
2
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: C₁₂H₁₁NO₃
Molecular Weight: 217.22
Synonyms: Benzoic acid, 4-(2-cyanoacetyl)-, ethyl ester
SMILES: O=C(OCC)C1=CC=C(C(CC#N)=O)C=C1
Tpsa: 67.16
Logp: 1.95968
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:
C₁₂H₁₁NO₃
Molecular Weight:
217.22
Synonyms:
Benzoic acid, 4-(2-cyanoacetyl)-, ethyl ester
SMILES:
O=C(OCC)C1=CC=C(C(CC#N)=O)C=C1
Tpsa:
67.16
Logp:
1.95968
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4