Home Other Building Blocks 3-Acetylpyrrole

3-Acetylpyrrole

CAS No.:
1072-82-8
Catalog Number:
AG0038YW
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$37
- +
5g
98%
In Stock USA
United States
$132
- +
10g
98%
In Stock USA
United States
$238
- +
25g
98%
In Stock USA
United States
$425
- +
Product Description
Catalog Number:
AG0038YW
Chemical Name:
3-Acetylpyrrole
CAS Number:
1072-82-8
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD00067759
IUPAC Name:
1-(1H-pyrrol-3-yl)ethanone
InChI:
InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3
InChI Key:
KHHSXHXUQVNBGA-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]cc1
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
2- and 3-acetylpyrroles: a combined calorimetric and computational study. The journal of physical chemistry. A 20090416
Properties