CS-1005301
Crocin Impurity 1
Manufacturer: ChemScene
CAS Number: 91740-80-6
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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
C₄₄H₆₄O₂₄
Molecular Weight
976.96
Synonyms
None
SMILES
C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@@H](OC(/C(=C/C=C/C(=C\C=C\C=C(\C=C\C=C(\C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=O)/C)/C)/C)/C)=O)[C@H](O)[C@@H](O)[C@@H]2O
Tpsa
391.2
Logp
-5.2252
H Acceptors
24
H Donors
14
Rotatable Bonds
18
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: C₄₄H₆₄O₂₄
Molecular Weight: 976.96
Synonyms: None
SMILES: C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@@H](OC(/C(=C/C=C/C(=C\C=C\C=C(\C=C\C=C(\C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=O)/C)/C)/C)/C)=O)[C@H](O)[C@@H](O)[C@@H]2O
Tpsa: 391.2
Logp: -5.2252
H Acceptors: 24
H Donors: 14
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₆₄O₂₄
Molecular Weight:
976.96
Synonyms:
None
SMILES:
C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@@H](OC(/C(=C/C=C/C(=C\C=C\C=C(\C=C\C=C(\C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=O)/C)/C)/C)/C)=O)[C@H](O)[C@@H](O)[C@@H]2O
Tpsa:
391.2
Logp:
-5.2252
H Acceptors:
24
H Donors:
14
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₈O₂
Molecular Weight: 194.27
Synonyms: None
SMILES: OCC=1C=CC=CC1C(O)CCCC
Tpsa: 40.46
Logp: 2.4025
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₈O₂
Molecular Weight:
194.27
Synonyms:
None
SMILES:
OCC=1C=CC=CC1C(O)CCCC
Tpsa:
40.46
Logp:
2.4025
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₉N
Molecular Weight: 237.34
Synonyms: None
SMILES: N(C)[C@@H]1C=2C([C@@H](CC1)C3=CC=CC=C3)=CC=CC2
Tpsa: 12.03
Logp: 3.8728
H Acceptors: 1
H Donors: 1
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:
C₁₇H₁₉N
Molecular Weight:
237.34
Synonyms:
None
SMILES:
N(C)[C@@H]1C=2C([C@@H](CC1)C3=CC=CC=C3)=CC=CC2
Tpsa:
12.03
Logp:
3.8728
H Acceptors:
1
H Donors:
1
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: C₁₇H₁₈ClN
Molecular Weight: 271.78
Synonyms: None
SMILES: N(C)[C@H]1C=2C([C@H](CC1)C3=CC=C(Cl)C=C3)=CC=CC2
Tpsa: 12.03
Logp: 4.5262
H Acceptors: 1
H Donors: 1
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:
C₁₇H₁₈ClN
Molecular Weight:
271.78
Synonyms:
None
SMILES:
N(C)[C@H]1C=2C([C@H](CC1)C3=CC=C(Cl)C=C3)=CC=CC2
Tpsa:
12.03
Logp:
4.5262
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2