CS-0811269
4-Benzoyl-3-(hydroxymethyl)benzonitrile
Manufacturer: ChemScene
CAS Number: 1346603-35-7
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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
C₁₅H₁₁NO₂
Molecular Weight
237.25
Synonyms
None
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)C#N)CO
Tpsa
61.09
Logp
2.28158
H Acceptors
3
H Donors
1
Rotatable Bonds
3
Related Products
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: C₁₅H₁₁NO₂
Molecular Weight: 237.25
Synonyms: None
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)C#N)CO
Tpsa: 61.09
Logp: 2.28158
H Acceptors: 3
H Donors: 1
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:
C₁₅H₁₁NO₂
Molecular Weight:
237.25
Synonyms:
None
SMILES:
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)C#N)CO
Tpsa:
61.09
Logp:
2.28158
H Acceptors:
3
H Donors:
1
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: C₁₁H₁₄O₃S
Molecular Weight: 226.29
Synonyms: None
SMILES: CC(C)C(=O)C1=CC=C(C=C1)S(=O)(=O)C
Tpsa: 51.21
Logp: 1.9288
H Acceptors: 3
H Donors: 0
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:
C₁₁H₁₄O₃S
Molecular Weight:
226.29
Synonyms:
None
SMILES:
CC(C)C(=O)C1=CC=C(C=C1)S(=O)(=O)C
Tpsa:
51.21
Logp:
1.9288
H Acceptors:
3
H Donors:
0
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: C₃₁H₄₁N₅O₂S
Molecular Weight: 547.75
Synonyms: None
SMILES: CNS(=O)(=O)CC(C1=CC2=C(C=C1)NC=C2C3CCN(CC3)C)C4=CC5=C(C=C4)NC=C5C6CCN(CC6)C
Tpsa: 84.23
Logp: 4.9487
H Acceptors: 4
H Donors: 3
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:
C₃₁H₄₁N₅O₂S
Molecular Weight:
547.75
Synonyms:
None
SMILES:
CNS(=O)(=O)CC(C1=CC2=C(C=C1)NC=C2C3CCN(CC3)C)C4=CC5=C(C=C4)NC=C5C6CCN(CC6)C
Tpsa:
84.23
Logp:
4.9487
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
7
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₆O
Molecular Weight: 306.44
Synonyms: None
SMILES: O[C@]1(C#C)[C@@]2(C)CC[C@@]3([H])[C@@]([C@]2([H])CC1)([H])CC=C4C=C(C#C)CC[C@@]43[H]
Tpsa: 20.23
Logp: 4.0929
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₆O
Molecular Weight:
306.44
Synonyms:
None
SMILES:
O[C@]1(C#C)[C@@]2(C)CC[C@@]3([H])[C@@]([C@]2([H])CC1)([H])CC=C4C=C(C#C)CC[C@@]43[H]
Tpsa:
20.23
Logp:
4.0929
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0