CS-0128540
2-(1-Hydroxy-4-oxocyclohexyl)acetic acid
Manufacturer: ChemScene
CAS Number: 100249-33-0
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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
C₈H₁₂O₄
Molecular Weight
172.18
Synonyms
tetrahydrojacaranone
SMILES
O=C1CCC(O)(CC(O)=O)CC1
Tpsa
74.6
Logp
0.3353
H Acceptors
3
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
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: C₈H₁₂O₄
Molecular Weight: 172.18
Synonyms: tetrahydrojacaranone
SMILES: O=C1CCC(O)(CC(O)=O)CC1
Tpsa: 74.6
Logp: 0.3353
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:
C₈H₁₂O₄
Molecular Weight:
172.18
Synonyms:
tetrahydrojacaranone
SMILES:
O=C1CCC(O)(CC(O)=O)CC1
Tpsa:
74.6
Logp:
0.3353
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: C₁₈H₃₄N₂O₄S
Molecular Weight: 374.54
Synonyms: None
SMILES: O=C(N(CC1)CCC21C[C@H](O)C[C@H]2NS(C(C)(C)C)=O)OC(C)(C)C
Tpsa: 78.87
Logp: 2.5788
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:
C₁₈H₃₄N₂O₄S
Molecular Weight:
374.54
Synonyms:
None
SMILES:
O=C(N(CC1)CCC21C[C@H](O)C[C@H]2NS(C(C)(C)C)=O)OC(C)(C)C
Tpsa:
78.87
Logp:
2.5788
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: C₁₁H₁₅N₃O₂S
Molecular Weight: 253.32
Synonyms: 4H-spiro[1,2,4-benzothiadiazine-3,4-piperidine] 1,1-dioxide
SMILES: O=S1(NC2(CCNCC2)NC3=CC=CC=C31)=O
Tpsa: 70.23
Logp: 0.4701
H Acceptors: 4
H Donors: 3
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:
C₁₁H₁₅N₃O₂S
Molecular Weight:
253.32
Synonyms:
4H-spiro[1,2,4-benzothiadiazine-3,4-piperidine] 1,1-dioxide
SMILES:
O=S1(NC2(CCNCC2)NC3=CC=CC=C31)=O
Tpsa:
70.23
Logp:
0.4701
H Acceptors:
4
H Donors:
3
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: C₇H₄BrNO₃S
Molecular Weight: 262.08
Synonyms: None
SMILES: O=C(C1=C(Br)C=CC=C12)NS2(=O)=O
Tpsa: 63.24
Logp: 0.8812
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:
C₇H₄BrNO₃S
Molecular Weight:
262.08
Synonyms:
None
SMILES:
O=C(C1=C(Br)C=CC=C12)NS2(=O)=O
Tpsa:
63.24
Logp:
0.8812
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0