CS-0559051
2-Methyl-5-(1H-pyrrol-1-yl)benzoic acid
Manufacturer: ChemScene
CAS Number: 444058-58-6
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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
C₁₂H₁₁NO₂
Molecular Weight
201.22
Synonyms
None
SMILES
O=C(O)C1=CC(=CC=C1C)N2C=CC=C2
Tpsa
42.23
Logp
2.48392
H Acceptors
2
H Donors
1
Rotatable Bonds
2
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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: C₁₂H₁₁NO₂
Molecular Weight: 201.22
Synonyms: None
SMILES: O=C(O)C1=CC(=CC=C1C)N2C=CC=C2
Tpsa: 42.23
Logp: 2.48392
H Acceptors: 2
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:
C₁₂H₁₁NO₂
Molecular Weight:
201.22
Synonyms:
None
SMILES:
O=C(O)C1=CC(=CC=C1C)N2C=CC=C2
Tpsa:
42.23
Logp:
2.48392
H Acceptors:
2
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: C₁₀H₁₂INO
Molecular Weight: 289.11
Synonyms: None
SMILES: CCC(=O)NC1=C(C=C(C=C1)I)C
Tpsa: 29.1
Logp: 2.94812
H Acceptors: 1
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:
C₁₀H₁₂INO
Molecular Weight:
289.11
Synonyms:
None
SMILES:
CCC(=O)NC1=C(C=C(C=C1)I)C
Tpsa:
29.1
Logp:
2.94812
H Acceptors:
1
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: C₁₉H₁₆N₂
Molecular Weight: 272.34
Synonyms: Fluorene-9,9-dipropionitrile
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(CCC#N)CCC#N
Tpsa: 47.58
Logp: 4.56066
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:
C₁₉H₁₆N₂
Molecular Weight:
272.34
Synonyms:
Fluorene-9,9-dipropionitrile
SMILES:
C1=CC=C2C(=C1)C3=CC=CC=C3C2(CCC#N)CCC#N
Tpsa:
47.58
Logp:
4.56066
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: C₁₁H₁₁NO₄S
Molecular Weight: 253.27
Synonyms: None
SMILES: COC(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C
Tpsa: 65.37
Logp: 1.2356
H Acceptors: 5
H Donors: 0
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:
C₁₁H₁₁NO₄S
Molecular Weight:
253.27
Synonyms:
None
SMILES:
COC(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C
Tpsa:
65.37
Logp:
1.2356
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2