CS-0547396
4-((3-Acetyl-2,5-dimethyl-1H-pyrrol-1-yl)methyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 887683-80-9
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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
C₁₆H₁₇NO₃
Molecular Weight
271.31
Synonyms
4-(3-Acetyl-2,5-dimethyl-pyrrol-1-ylmethyl)-benzoic acid
SMILES
O=C(O)C1=CC=C(C=C1)CN2C(=CC(C(=O)C)=C2C)C
Tpsa
59.3
Logp
3.05404
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: C₁₆H₁₇NO₃
Molecular Weight: 271.31
Synonyms: 4-(3-Acetyl-2,5-dimethyl-pyrrol-1-ylmethyl)-benzoic acid
SMILES: O=C(O)C1=CC=C(C=C1)CN2C(=CC(C(=O)C)=C2C)C
Tpsa: 59.3
Logp: 3.05404
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:
C₁₆H₁₇NO₃
Molecular Weight:
271.31
Synonyms:
4-(3-Acetyl-2,5-dimethyl-pyrrol-1-ylmethyl)-benzoic acid
SMILES:
O=C(O)C1=CC=C(C=C1)CN2C(=CC(C(=O)C)=C2C)C
Tpsa:
59.3
Logp:
3.05404
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: C₁₆H₁₇NO₃
Molecular Weight: 271.31
Synonyms: 3-[(3-Acetyl-2,5-dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid
SMILES: CC1=CC(=C(N1CC2=CC(=CC=C2)C(=O)O)C)C(=O)C
Tpsa: 59.3
Logp: 3.05404
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:
C₁₆H₁₇NO₃
Molecular Weight:
271.31
Synonyms:
3-[(3-Acetyl-2,5-dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid
SMILES:
CC1=CC(=C(N1CC2=CC(=CC=C2)C(=O)O)C)C(=O)C
Tpsa:
59.3
Logp:
3.05404
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: C₁₀H₁₀N₄O
Molecular Weight: 202.21
Synonyms: None
SMILES: C1=CC=C(C=C1)C(=O)CN2C=NC(=N2)N
Tpsa: 73.8
Logp: 0.7432
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:
C₁₀H₁₀N₄O
Molecular Weight:
202.21
Synonyms:
None
SMILES:
C1=CC=C(C=C1)C(=O)CN2C=NC(=N2)N
Tpsa:
73.8
Logp:
0.7432
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: C₁₂H₁₇NO
Molecular Weight: 191.27
Synonyms: 5-(2-FLUORO-PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID
SMILES: C1CN(CC2=CC=CC=C21)CCCO
Tpsa: 23.47
Logp: 1.4271
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:
C₁₂H₁₇NO
Molecular Weight:
191.27
Synonyms:
5-(2-FLUORO-PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID
SMILES:
C1CN(CC2=CC=CC=C21)CCCO
Tpsa:
23.47
Logp:
1.4271
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3