CS-1150787
4-(3-Cyanooxetan-3-yl)benzoic acid
Manufacturer: ChemScene
CAS Number: 1603821-80-2
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₁H₉NO₃
Molecular Weight
203.20
Synonyms
None
SMILES
N#CC1(C2=CC=C(C=C2)C(=O)O)COC1
Tpsa
70.32
Logp
1.17638
H Acceptors
3
H Donors
1
Rotatable Bonds
2
Related Products
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₉NO₃
Molecular Weight: 203.20
Synonyms: None
SMILES: N#CC1(C2=CC=C(C=C2)C(=O)O)COC1
Tpsa: 70.32
Logp: 1.17638
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₉NO₃
Molecular Weight:
203.20
Synonyms:
None
SMILES:
N#CC1(C2=CC=C(C=C2)C(=O)O)COC1
Tpsa:
70.32
Logp:
1.17638
H Acceptors:
3
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: C₇H₅BrN₂O
Molecular Weight: 213.03
Synonyms: None
SMILES: O=C1C=C2C=CC=C(Br)N2N1
Tpsa: 37.27
Logp: 1.3901
H Acceptors: 2
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:
C₇H₅BrN₂O
Molecular Weight:
213.03
Synonyms:
None
SMILES:
O=C1C=C2C=CC=C(Br)N2N1
Tpsa:
37.27
Logp:
1.3901
H Acceptors:
2
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: C₉H₁₀FNO₃
Molecular Weight: 199.18
Synonyms: None
SMILES: O=C(O)C1=CN=C(OCCCF)C=C1
Tpsa: 59.42
Logp: 1.5182
H Acceptors: 3
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:
C₉H₁₀FNO₃
Molecular Weight:
199.18
Synonyms:
None
SMILES:
O=C(O)C1=CN=C(OCCCF)C=C1
Tpsa:
59.42
Logp:
1.5182
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₅N₃
Molecular Weight: 213.28
Synonyms: None
SMILES: N=1C=CC=C(N)C1N(C)CC=2C=CC=CC2
Tpsa: 42.15
Logp: 2.3002
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₅N₃
Molecular Weight:
213.28
Synonyms:
None
SMILES:
N=1C=CC=C(N)C1N(C)CC=2C=CC=CC2
Tpsa:
42.15
Logp:
2.3002
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3