CS-0784688
Dimethyl 4-cyano-5-(3-hydroxyprop-1-yn-1-yl)phthalate
Manufacturer: ChemScene
CAS Number: 2616552-13-5
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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
C₁₄H₁₁NO₅
Molecular Weight
273.24
Synonyms
None
SMILES
O=C(C1=CC(C#CCO)=C(C#N)C=C1C(OC)=O)OC
Tpsa
96.62
Logp
0.47528
H Acceptors
6
H Donors
1
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: C₁₄H₁₁NO₅
Molecular Weight: 273.24
Synonyms: None
SMILES: O=C(C1=CC(C#CCO)=C(C#N)C=C1C(OC)=O)OC
Tpsa: 96.62
Logp: 0.47528
H Acceptors: 6
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:
C₁₄H₁₁NO₅
Molecular Weight:
273.24
Synonyms:
None
SMILES:
O=C(C1=CC(C#CCO)=C(C#N)C=C1C(OC)=O)OC
Tpsa:
96.62
Logp:
0.47528
H Acceptors:
6
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: C₈H₃Cl₃N₂O₂
Molecular Weight: 265.48
Synonyms: None
SMILES: O=C1NC2=C(Cl)C(Cl)=C(Cl)N=C2C(O)=C1
Tpsa: 65.98
Logp: 2.5889
H Acceptors: 3
H Donors: 2
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:
C₈H₃Cl₃N₂O₂
Molecular Weight:
265.48
Synonyms:
None
SMILES:
O=C1NC2=C(Cl)C(Cl)=C(Cl)N=C2C(O)=C1
Tpsa:
65.98
Logp:
2.5889
H Acceptors:
3
H Donors:
2
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: C₁₄H₁₀F₂O₂
Molecular Weight: 248.22
Synonyms: None
SMILES: O=CC1=CC=C(F)C(F)=C1OCC2=CC=CC=C2
Tpsa: 26.3
Logp: 3.3563
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₀F₂O₂
Molecular Weight:
248.22
Synonyms:
None
SMILES:
O=CC1=CC=C(F)C(F)=C1OCC2=CC=CC=C2
Tpsa:
26.3
Logp:
3.3563
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂FNO₂
Molecular Weight: 197.21
Synonyms: None
SMILES: O=C(NC)[C@@H](O)CC1=CC=CC(F)=C1
Tpsa: 49.33
Logp: 0.4751
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:
C₁₀H₁₂FNO₂
Molecular Weight:
197.21
Synonyms:
None
SMILES:
O=C(NC)[C@@H](O)CC1=CC=CC(F)=C1
Tpsa:
49.33
Logp:
0.4751
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3