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30186-49-3 | 1H-Pyrrole-2-carboxaldehyde, 1-acetyl-
CAS No: 30186-49-3 Catalog No: AG007JAD MDL No:MFCD12923804
Product Description
Catalog Number:
AG007JAD
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1-acetyl-
CAS Number:
30186-49-3
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD12923804
IUPAC Name:
1-acetylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C7H7NO2/c1-6(10)8-4-2-3-7(8)5-9/h2-5H,1H3
InChI Key:
YIZNXYLVEMUCQZ-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1C(=O)C
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:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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