CS-0639103
trans-3-Octenedioic acid
Manufacturer: ChemScene
CAS Number: 124791-58-8
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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
None
SMILES
OC(CCC/C=C/CC(O)=O)=O
Tpsa
74.6
Logp
1.2722
H Acceptors
2
H Donors
2
Rotatable Bonds
6
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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: C₈H₁₂O₄
Molecular Weight: 172.18
Synonyms: None
SMILES: OC(CCC/C=C/CC(O)=O)=O
Tpsa: 74.6
Logp: 1.2722
H Acceptors: 2
H Donors: 2
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:
C₈H₁₂O₄
Molecular Weight:
172.18
Synonyms:
None
SMILES:
OC(CCC/C=C/CC(O)=O)=O
Tpsa:
74.6
Logp:
1.2722
H Acceptors:
2
H Donors:
2
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: C₁₁H₁₅N₅O₄
Molecular Weight: 281.27
Synonyms: None
SMILES: O[C@H]1[C@@H](O)[C@H](N2C(N=CN=C3N)=C3N=C2C)O[C@@H]1CO
Tpsa: 139.54
Logp: -1.67158
H Acceptors: 9
H Donors: 4
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:
C₁₁H₁₅N₅O₄
Molecular Weight:
281.27
Synonyms:
None
SMILES:
O[C@H]1[C@@H](O)[C@H](N2C(N=CN=C3N)=C3N=C2C)O[C@@H]1CO
Tpsa:
139.54
Logp:
-1.67158
H Acceptors:
9
H Donors:
4
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: C₁₈H₂₁N₅O₅
Molecular Weight: 387.39
Synonyms: None
SMILES: O[C@H]1[C@@H](O)[C@H](N2C=NC3=C(NCC4=CC=C(OC)C=C4)N=CN=C32)O[C@@H]1CO
Tpsa: 134.78
Logp: 0.0585
H Acceptors: 10
H Donors: 4
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:
C₁₈H₂₁N₅O₅
Molecular Weight:
387.39
Synonyms:
None
SMILES:
O[C@H]1[C@@H](O)[C@H](N2C=NC3=C(NCC4=CC=C(OC)C=C4)N=CN=C32)O[C@@H]1CO
Tpsa:
134.78
Logp:
0.0585
H Acceptors:
10
H Donors:
4
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: C₈H₂₀NO₆P
Molecular Weight: 257.22
Synonyms: None
SMILES: C[N+](C)(CCOP([O-])(OC[C@H](CO)O)=O)C
Tpsa: 99.05
Logp: -1.4526
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₂₀NO₆P
Molecular Weight:
257.22
Synonyms:
None
SMILES:
C[N+](C)(CCOP([O-])(OC[C@H](CO)O)=O)C
Tpsa:
99.05
Logp:
-1.4526
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
8