CS-0573582
3-Methoxy-4-((2-methylbenzyl)oxy)benzoic acid
Manufacturer: ChemScene
CAS Number: 938232-46-3
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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
C₁₆H₁₆O₄
Molecular Weight
272.30
Synonyms
3-methoxy-4-[(2-methylbenzyl)oxy]benzoic acid
SMILES
CC1=CC=CC=C1COC2=C(C=C(C=C2)C(=O)O)OC
Tpsa
55.76
Logp
3.28082
H Acceptors
3
H Donors
1
Rotatable Bonds
5
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: C₁₆H₁₆O₄
Molecular Weight: 272.30
Synonyms: 3-methoxy-4-[(2-methylbenzyl)oxy]benzoic acid
SMILES: CC1=CC=CC=C1COC2=C(C=C(C=C2)C(=O)O)OC
Tpsa: 55.76
Logp: 3.28082
H Acceptors: 3
H Donors: 1
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:
C₁₆H₁₆O₄
Molecular Weight:
272.30
Synonyms:
3-methoxy-4-[(2-methylbenzyl)oxy]benzoic acid
SMILES:
CC1=CC=CC=C1COC2=C(C=C(C=C2)C(=O)O)OC
Tpsa:
55.76
Logp:
3.28082
H Acceptors:
3
H Donors:
1
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: C₉H₁₃N₃O₂
Molecular Weight: 195.22
Synonyms: None
SMILES: C1COCCN1C2=NC=C(C=N2)CO
Tpsa: 58.48
Logp: -0.1945
H Acceptors: 5
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:
C₉H₁₃N₃O₂
Molecular Weight:
195.22
Synonyms:
None
SMILES:
C1COCCN1C2=NC=C(C=N2)CO
Tpsa:
58.48
Logp:
-0.1945
H Acceptors:
5
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: C₁₁H₁₃N₃O₄
Molecular Weight: 251.24
Synonyms: 1-(3-nitro-2-pyridyl)piperidine-3-carboxylic acid
SMILES: C1CC(CN(C1)C2=C(C=CC=N2)[N+](=O)[O-])C(=O)O
Tpsa: 96.57
Logp: 1.2908
H Acceptors: 5
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:
C₁₁H₁₃N₃O₄
Molecular Weight:
251.24
Synonyms:
1-(3-nitro-2-pyridyl)piperidine-3-carboxylic acid
SMILES:
C1CC(CN(C1)C2=C(C=CC=N2)[N+](=O)[O-])C(=O)O
Tpsa:
96.57
Logp:
1.2908
H Acceptors:
5
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: C₁₃H₁₀Cl₂N₂OS
Molecular Weight: 313.20
Synonyms: 1-(3,4-Dichlorophenyl)-2-[2-(methylsulfanyl)-4-pyrimidinyl]-1-ethanone
SMILES: CSC1=NC=CC(=N1)CC(=O)C2=CC(=C(C=C2)Cl)Cl
Tpsa: 42.85
Logp: 3.9307
H Acceptors: 4
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:
C₁₃H₁₀Cl₂N₂OS
Molecular Weight:
313.20
Synonyms:
1-(3,4-Dichlorophenyl)-2-[2-(methylsulfanyl)-4-pyrimidinyl]-1-ethanone
SMILES:
CSC1=NC=CC(=N1)CC(=O)C2=CC(=C(C=C2)Cl)Cl
Tpsa:
42.85
Logp:
3.9307
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4