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24445-11-2 | 1H-Pyrrole-3-carboxaldehyde,4-acetyl-
CAS No: 24445-11-2 Catalog No: AG007N9B MDL No:
Product Description
Catalog Number:
AG007N9B
Chemical Name:
1H-Pyrrole-3-carboxaldehyde,4-acetyl-
CAS Number:
24445-11-2
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
IUPAC Name:
4-acetyl-1H-pyrrole-3-carbaldehyde
InChI:
InChI=1S/C7H7NO2/c1-5(10)7-3-8-2-6(7)4-9/h2-4,8H,1H3
InChI Key:
ORUDJQBGSUIFRQ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]cc1C(=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:
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:
-0.1
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