CS-0560623
1-(3-Methoxybenzyl)-1H-pyrrole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1540618-15-2
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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
C₁₃H₁₃NO₃
Molecular Weight
231.25
Synonyms
1-[(3-methoxyphenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES
COC1=CC=CC(=C1)CN2C=CC(=C2)C(=O)O
Tpsa
51.46
Logp
2.2432
H Acceptors
3
H Donors
1
Rotatable Bonds
4
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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: C₁₃H₁₃NO₃
Molecular Weight: 231.25
Synonyms: 1-[(3-methoxyphenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES: COC1=CC=CC(=C1)CN2C=CC(=C2)C(=O)O
Tpsa: 51.46
Logp: 2.2432
H Acceptors: 3
H Donors: 1
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:
C₁₃H₁₃NO₃
Molecular Weight:
231.25
Synonyms:
1-[(3-methoxyphenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES:
COC1=CC=CC(=C1)CN2C=CC(=C2)C(=O)O
Tpsa:
51.46
Logp:
2.2432
H Acceptors:
3
H Donors:
1
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: C₁₀H₁₃NO₃
Molecular Weight: 195.22
Synonyms: 1-[(oxolan-2-yl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES: C1CC(OC1)CN2C=CC(=C2)C(=O)O
Tpsa: 51.46
Logp: 1.3653
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:
C₁₀H₁₃NO₃
Molecular Weight:
195.22
Synonyms:
1-[(oxolan-2-yl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES:
C1CC(OC1)CN2C=CC(=C2)C(=O)O
Tpsa:
51.46
Logp:
1.3653
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: C₁₃H₁₃NO₂
Molecular Weight: 215.25
Synonyms: 1-[(3-methylphenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES: CC1=CC(=CC=C1)CN2C=CC(=C2)C(=O)O
Tpsa: 42.23
Logp: 2.54302
H Acceptors: 2
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:
C₁₃H₁₃NO₂
Molecular Weight:
215.25
Synonyms:
1-[(3-methylphenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES:
CC1=CC(=CC=C1)CN2C=CC(=C2)C(=O)O
Tpsa:
42.23
Logp:
2.54302
H Acceptors:
2
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: C₆H₉N₃O₂
Molecular Weight: 155.15
Synonyms: None
SMILES: O=C(O)CNC1=NN(C)C=C1
Tpsa: 67.15
Logp: -0.0834
H Acceptors: 4
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:
C₆H₉N₃O₂
Molecular Weight:
155.15
Synonyms:
None
SMILES:
O=C(O)CNC1=NN(C)C=C1
Tpsa:
67.15
Logp:
-0.0834
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3