Home Nitriles 3-(5-methylfuran-2-yl)-3-oxopropanenitrile

3-(5-methylfuran-2-yl)-3-oxopropanenitrile

CAS No.:
197250-40-1
Catalog Number:
AG01BELK
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
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Product Description
Catalog Number:
AG01BELK
Chemical Name:
3-(5-methylfuran-2-yl)-3-oxopropanenitrile
CAS Number:
197250-40-1
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD11170514
IUPAC Name:
3-(5-methylfuran-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H7NO2/c1-6-2-3-8(11-6)7(10)4-5-9/h2-3H,4H2,1H3
InChI Key:
MZLDNLHMYMGVEF-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)C(=O)CC#N
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties