CS-0566929
(2S,5R,6S)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 21794-93-4
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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
C₈H₁₂N₂O₃S
Molecular Weight
216.26
Synonyms
None
SMILES
O=C([C@@H](C(C)(C)S[C@]1([H])[C@H]2N)N1C2=O)O
Tpsa
83.63
Logp
-0.5394
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
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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: C₈H₁₂N₂O₃S
Molecular Weight: 216.26
Synonyms: None
SMILES: O=C([C@@H](C(C)(C)S[C@]1([H])[C@H]2N)N1C2=O)O
Tpsa: 83.63
Logp: -0.5394
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:
C₈H₁₂N₂O₃S
Molecular Weight:
216.26
Synonyms:
None
SMILES:
O=C([C@@H](C(C)(C)S[C@]1([H])[C@H]2N)N1C2=O)O
Tpsa:
83.63
Logp:
-0.5394
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: C₉H₄N₂O₂
Molecular Weight: 172.14
Synonyms: Benzoic acid,3,5-dicyano
SMILES: N#CC1=CC(C(O)=O)=CC(C#N)=C1
Tpsa: 84.88
Logp: 1.12816
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:
C₉H₄N₂O₂
Molecular Weight:
172.14
Synonyms:
Benzoic acid,3,5-dicyano
SMILES:
N#CC1=CC(C(O)=O)=CC(C#N)=C1
Tpsa:
84.88
Logp:
1.12816
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: C₉H₁₀O₄
Molecular Weight: 182.17
Synonyms: Benzoic acid, 4-hydroxy-3-(hydroxymethyl)-, methyl ester
SMILES: O=C(C1=CC=C(C(CO)=C1)O)OC
Tpsa: 66.76
Logp: 0.6711
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:
C₉H₁₀O₄
Molecular Weight:
182.17
Synonyms:
Benzoic acid, 4-hydroxy-3-(hydroxymethyl)-, methyl ester
SMILES:
O=C(C1=CC=C(C(CO)=C1)O)OC
Tpsa:
66.76
Logp:
0.6711
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: C₁₁H₁₂O₄
Molecular Weight: 208.21
Synonyms: 4-carboxybenzeneacetic acid ethyl ester
SMILES: O=C(C1=CC=C(CC(OCC)=O)C=C1)O
Tpsa: 63.6
Logp: 1.4904
H Acceptors: 3
H Donors: 1
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:
C₁₁H₁₂O₄
Molecular Weight:
208.21
Synonyms:
4-carboxybenzeneacetic acid ethyl ester
SMILES:
O=C(C1=CC=C(CC(OCC)=O)C=C1)O
Tpsa:
63.6
Logp:
1.4904
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4