CS-0896525
3-Hydroxy-4-(methylamino)cyclobut-3-ene-1,2-dione
Manufacturer: ChemScene
CAS Number: 876131-58-7
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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
C₅H₅NO₃
Molecular Weight
127.10
Synonyms
None
SMILES
O=C1C(C(O)=C1NC)=O
Tpsa
66.4
Logp
-0.9701
H Acceptors
4
H Donors
2
Rotatable Bonds
1
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: C₅H₅NO₃
Molecular Weight: 127.10
Synonyms: None
SMILES: O=C1C(C(O)=C1NC)=O
Tpsa: 66.4
Logp: -0.9701
H Acceptors: 4
H Donors: 2
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:
C₅H₅NO₃
Molecular Weight:
127.10
Synonyms:
None
SMILES:
O=C1C(C(O)=C1NC)=O
Tpsa:
66.4
Logp:
-0.9701
H Acceptors:
4
H Donors:
2
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: C₁₆H₂₁BFNO₅
Molecular Weight: 337.15
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=C(OCOC)C(F)=C3N=C(C)OC3=C2)O1
Tpsa: 62.95
Logp: 2.55722
H Acceptors: 6
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:
C₁₆H₂₁BFNO₅
Molecular Weight:
337.15
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=C(OCOC)C(F)=C3N=C(C)OC3=C2)O1
Tpsa:
62.95
Logp:
2.55722
H Acceptors:
6
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: C₉H₇BrN₂O₂
Molecular Weight: 255.07
Synonyms: None
SMILES: O=C1NC2=CC(OC)=C(Br)N=C2C=C1
Tpsa: 54.98
Logp: 1.6942
H Acceptors: 3
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:
C₉H₇BrN₂O₂
Molecular Weight:
255.07
Synonyms:
None
SMILES:
O=C1NC2=CC(OC)=C(Br)N=C2C=C1
Tpsa:
54.98
Logp:
1.6942
H Acceptors:
3
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: C₁₃H₁₇BrN₂O₅
Molecular Weight: 361.19
Synonyms: None
SMILES: O=C(C1=NC(Br)=C(OC)C=C1NC(OC(C)(C)C)=O)OC
Tpsa: 86.75
Logp: 2.9863
H Acceptors: 6
H Donors: 1
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:
C₁₃H₁₇BrN₂O₅
Molecular Weight:
361.19
Synonyms:
None
SMILES:
O=C(C1=NC(Br)=C(OC)C=C1NC(OC(C)(C)C)=O)OC
Tpsa:
86.75
Logp:
2.9863
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
3