CS-1164258
2-(3-Oxo-2,3,4,5,6,7-hexahydrobenzo[d]isoxazol-6-yl)acetic acid
Manufacturer: ChemScene
CAS Number: 1367966-52-6
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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
C₉H₁₁NO₄
Molecular Weight
197.19
Synonyms
None
SMILES
O=C(O)CC1CC=2ONC(=O)C2CC1
Tpsa
83.3
Logp
0.5475
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: C₉H₁₁NO₄
Molecular Weight: 197.19
Synonyms: None
SMILES: O=C(O)CC1CC=2ONC(=O)C2CC1
Tpsa: 83.3
Logp: 0.5475
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:
C₉H₁₁NO₄
Molecular Weight:
197.19
Synonyms:
None
SMILES:
O=C(O)CC1CC=2ONC(=O)C2CC1
Tpsa:
83.3
Logp:
0.5475
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₉ClN₂O
Molecular Weight: 172.61
Synonyms: None
SMILES: ClC1=NN=C(C=C1)COCC
Tpsa: 35.01
Logp: 1.6665
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₉ClN₂O
Molecular Weight:
172.61
Synonyms:
None
SMILES:
ClC1=NN=C(C=C1)COCC
Tpsa:
35.01
Logp:
1.6665
H Acceptors:
3
H Donors:
0
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: C₉H₁₂INO
Molecular Weight: 277.11
Synonyms: None
SMILES: IC=1C=CC=CC1C(N)COC
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂INO
Molecular Weight:
277.11
Synonyms:
None
SMILES:
IC=1C=CC=CC1C(N)COC
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₆N₂O₃
Molecular Weight: 248.28
Synonyms: None
SMILES: O=C(N)C1CC(=O)N(CC=2C=CC=CC2OC)C1
Tpsa: 72.63
Logp: 0.529
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₆N₂O₃
Molecular Weight:
248.28
Synonyms:
None
SMILES:
O=C(N)C1CC(=O)N(CC=2C=CC=CC2OC)C1
Tpsa:
72.63
Logp:
0.529
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4