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Home Carboxys 1-Methylpyrrole-2-carboxylic acid

1-Methylpyrrole-2-carboxylic acid

CAS No.:
6973-60-0
Catalog Number:
AG00IBZ3
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$18
- +
5g
98%
In Stock USA
United States
$48
- +
10g
98%
In Stock USA
United States
$88
- +
25g
98%
In Stock USA
United States
$163
- +
Product Description
Catalog Number:
AG00IBZ3
Chemical Name:
1-Methylpyrrole-2-carboxylic acid
CAS Number:
6973-60-0
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD00003088
IUPAC Name:
1-methylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C6H7NO2/c1-7-4-2-3-5(7)6(8)9/h2-4H,1H3,(H,8,9)
InChI Key:
ILAOVOOZLVGAJF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccn1C
EC Number:
230-217-8
NSC Number:
40289
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Fused ring construction around pyrrole, indole, and related compounds via palladium-catalyzed oxidative coupling with alkynes. The Journal of organic chemistry 20091002
Experimental and computational study on the molecular energetics of 2-pyrrolecarboxylic acid and 1-methyl-2-pyrrolecarboxylic acid. The journal of physical chemistry. A 20090903
Methylpyrrole tropane alkaloids from the bark of Erythroxylum vacciniifolium. Journal of natural products 20050801
Properties