CS-1002007
Shikimic Acid Impurity 6
Manufacturer: ChemScene
CAS Number: 171963-37-4
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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
C₇H₁₀O₅
Molecular Weight
174.15
Synonyms
None
SMILES
C(O)(=O)C=1C[C@@H](O)[C@H](O)[C@@H](O)C1
Tpsa
97.99
Logp
-1.5162
H Acceptors
4
H Donors
4
Rotatable Bonds
1
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₇H₁₀O₅
Molecular Weight: 174.15
Synonyms: None
SMILES: C(O)(=O)C=1C[C@@H](O)[C@H](O)[C@@H](O)C1
Tpsa: 97.99
Logp: -1.5162
H Acceptors: 4
H Donors: 4
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:
C₇H₁₀O₅
Molecular Weight:
174.15
Synonyms:
None
SMILES:
C(O)(=O)C=1C[C@@H](O)[C@H](O)[C@@H](O)C1
Tpsa:
97.99
Logp:
-1.5162
H Acceptors:
4
H Donors:
4
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: C₁₂H₁₅NO₄
Molecular Weight: 237.25
Synonyms: None
SMILES: O=C(O)CC(NC(C=1C=CC=CC1)C)C(=O)O
Tpsa: 86.63
Logp: 1.2651
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅NO₄
Molecular Weight:
237.25
Synonyms:
None
SMILES:
O=C(O)CC(NC(C=1C=CC=CC1)C)C(=O)O
Tpsa:
86.63
Logp:
1.2651
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
6
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₃₉ClN₄
Molecular Weight: 491.11
Synonyms: None
SMILES: [Cl-].N=1C=2C=CC=CC2C(=CC1C)NCCCCCCCCCC[N+]=3C=4C=CC=CC4C(N)=CC3C
Tpsa: 54.82
Logp: 4.11144
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 12
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₉ClN₄
Molecular Weight:
491.11
Synonyms:
None
SMILES:
[Cl-].N=1C=2C=CC=CC2C(=CC1C)NCCCCCCCCCC[N+]=3C=4C=CC=CC4C(N)=CC3C
Tpsa:
54.82
Logp:
4.11144
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₄O₁₄
Molecular Weight: 606.57
Synonyms: None
SMILES: C(O)(=O)[C@@H]1[C@@H](C2=C([C@@H](O[C@@H]3O[C@]4([C@]([C@H](O)[C@H]3O)(O[C@H](C)OC4)[H])[H])[C@H]1CO)C=C5C(=C2)OCO5)C6=CC(OC)=C(O)C(OC)=C6
Tpsa: 192.06
Logp: 0.8587
H Acceptors: 13
H Donors: 5
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₄O₁₄
Molecular Weight:
606.57
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1[C@@H](C2=C([C@@H](O[C@@H]3O[C@]4([C@]([C@H](O)[C@H]3O)(O[C@H](C)OC4)[H])[H])[C@H]1CO)C=C5C(=C2)OCO5)C6=CC(OC)=C(O)C(OC)=C6
Tpsa:
192.06
Logp:
0.8587
H Acceptors:
13
H Donors:
5
Rotatable Bonds:
7