Home Carbonyls 2-{1-methyl-5-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}acetic acid

2-{1-methyl-5-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}acetic acid

CAS No.:
26171-23-3
Catalog Number:
AG002RZ0
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$94
- +
10g
98%
In Stock USA
United States
$163
- +
25g
98%
In Stock USA
United States
$294
- +
Product Description
Catalog Number:
AG002RZ0
Chemical Name:
2-{1-methyl-5-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}acetic acid
CAS Number:
26171-23-3
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
MDL Number:
MFCD00599595
IUPAC Name:
2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid
InChI:
InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)
InChI Key:
UPSPUYADGBWSHF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C
EC Number:
247-497-2
UNII:
D8K2JPN18B
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
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