200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1072-82-8
1072-82-8 | 3-Acetylpyrrole
CAS No: 1072-82-8 Catalog No: AG0038YW MDL No:MFCD00067759
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.