CS-0882631
5-(Methoxycarbonyl)-1H-1,2,4-triazole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1785054-70-7
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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
C₅H₅N₃O₄
Molecular Weight
171.11
Synonyms
None
SMILES
O=C(C1=NNC(C(OC)=O)=N1)O
Tpsa
105.17
Logp
-0.7105
H Acceptors
5
H Donors
2
Rotatable Bonds
2
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₅H₅N₃O₄
Molecular Weight: 171.11
Synonyms: None
SMILES: O=C(C1=NNC(C(OC)=O)=N1)O
Tpsa: 105.17
Logp: -0.7105
H Acceptors: 5
H Donors: 2
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:
C₅H₅N₃O₄
Molecular Weight:
171.11
Synonyms:
None
SMILES:
O=C(C1=NNC(C(OC)=O)=N1)O
Tpsa:
105.17
Logp:
-0.7105
H Acceptors:
5
H Donors:
2
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: C₇H₇BClFO₃
Molecular Weight: 204.39
Synonyms: None
SMILES: OB(C1=CC(F)=C(Cl)C=C1OC)O
Tpsa: 49.69
Logp: 0.1675
H Acceptors: 3
H Donors: 2
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:
C₇H₇BClFO₃
Molecular Weight:
204.39
Synonyms:
None
SMILES:
OB(C1=CC(F)=C(Cl)C=C1OC)O
Tpsa:
49.69
Logp:
0.1675
H Acceptors:
3
H Donors:
2
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: C₆H₆N₂O₄
Molecular Weight: 170.12
Synonyms: None
SMILES: O=C(C1=NNC=C1C(O)=O)OC
Tpsa: 92.28
Logp: -0.1055
H Acceptors: 4
H Donors: 2
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:
C₆H₆N₂O₄
Molecular Weight:
170.12
Synonyms:
None
SMILES:
O=C(C1=NNC=C1C(O)=O)OC
Tpsa:
92.28
Logp:
-0.1055
H Acceptors:
4
H Donors:
2
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: C₁₁H₁₅O₃P
Molecular Weight: 226.21
Synonyms: None
SMILES: OC1=C([P@@](CO2)(C(C)(C)C)=O)C2=CC=C1
Tpsa: 46.53
Logp: 2.529
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:
C₁₁H₁₅O₃P
Molecular Weight:
226.21
Synonyms:
None
SMILES:
OC1=C([P@@](CO2)(C(C)(C)C)=O)C2=CC=C1
Tpsa:
46.53
Logp:
2.529
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0