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16168-92-6 | 1H-Pyrrole-2-carboxaldehyde, 4-acetyl- (9CI)
CAS No: 16168-92-6 Catalog No: AG00AR6T MDL No:
Product Description
Catalog Number:
AG00AR6T
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 4-acetyl- (9CI)
CAS Number:
16168-92-6
IUPAC Name:
4-acetyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C7H7NO2/c1-5(10)6-2-7(4-9)8-3-6/h2-4,8H,1H3
InChI Key:
YTVCNLYEPORLTG-UHFFFAOYSA-N
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| 4-Acetyl-1H-pyrrole-2-carbaldehyde. | Acta crystallographica. Section E, Structure reports online 20121001 |
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