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87388-72-5 | 1H-Pyrrole-3-carbonitrile, 4-(2-furanyl)-
CAS No: 87388-72-5 Catalog No: AG004NQJ MDL No:
Product Description
Catalog Number:
AG004NQJ
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-(2-furanyl)-
CAS Number:
87388-72-5
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
IUPAC Name:
4-(furan-2-yl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C9H6N2O/c10-4-7-5-11-6-8(7)9-2-1-3-12-9/h1-3,5-6,11H
InChI Key:
PCSSEKLBJMNGMU-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]cc1c1ccco1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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