CS-0368393
(R)-5-Chloro-8-hydroxy-3-methylisochroman-1-one
Manufacturer: ChemScene
CAS Number: 1421840-11-0
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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
C₁₀H₉ClO₃
Molecular Weight
212.63
Synonyms
(3R)-5-chloro-8-hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
SMILES
ClC1=C2C(C(O[C@@H](C2)C)=O)=C(C=C1)O
Tpsa
46.53
Logp
2.147
H Acceptors
3
H Donors
1
Rotatable Bonds
0
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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: C₁₀H₉ClO₃
Molecular Weight: 212.63
Synonyms: (3R)-5-chloro-8-hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
SMILES: ClC1=C2C(C(O[C@@H](C2)C)=O)=C(C=C1)O
Tpsa: 46.53
Logp: 2.147
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:
C₁₀H₉ClO₃
Molecular Weight:
212.63
Synonyms:
(3R)-5-chloro-8-hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
SMILES:
ClC1=C2C(C(O[C@@H](C2)C)=O)=C(C=C1)O
Tpsa:
46.53
Logp:
2.147
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: C₆H₆O₄
Molecular Weight: 142.11
Synonyms: TRANS,TRANS-MUCONATE
SMILES: O=C(O)/C=C/C=C/C(O)=O
Tpsa: 74.6
Logp: 0.268
H Acceptors: 2
H Donors: 2
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:
C₆H₆O₄
Molecular Weight:
142.11
Synonyms:
TRANS,TRANS-MUCONATE
SMILES:
O=C(O)/C=C/C=C/C(O)=O
Tpsa:
74.6
Logp:
0.268
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD30283002
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₂O
Molecular Weight: 100.16
Synonyms: None
SMILES: C[C@@H](O)[C@H](C)C=C
Tpsa: 20.23
Logp: 1.1893
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD30283002
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₂O
Molecular Weight:
100.16
Synonyms:
None
SMILES:
C[C@@H](O)[C@H](C)C=C
Tpsa:
20.23
Logp:
1.1893
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2
Purity: 96%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₈ClN₃O₄
Molecular Weight: 293.66
Synonyms: None
SMILES: O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CN=C3Cl)=O
Tpsa: 96.44
Logp: 0.1362
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
96%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₈ClN₃O₄
Molecular Weight:
293.66
Synonyms:
None
SMILES:
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CN=C3Cl)=O
Tpsa:
96.44
Logp:
0.1362
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1