Home Nitriles 2-oxo-2,3-dihydro-1H-indene-1-carbonitrile

2-oxo-2,3-dihydro-1H-indene-1-carbonitrile

CAS No.:
200724-92-1
Catalog Number:
AG01A18A
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
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Product Description
Catalog Number:
AG01A18A
Chemical Name:
2-oxo-2,3-dihydro-1H-indene-1-carbonitrile
CAS Number:
200724-92-1
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
MDL Number:
MFCD00158928
IUPAC Name:
2-oxo-1,3-dihydroindene-1-carbonitrile
InChI:
InChI=1S/C10H7NO/c11-6-9-8-4-2-1-3-7(8)5-10(9)12/h1-4,9H,5H2
InChI Key:
IPDOJTSJVRBTJJ-UHFFFAOYSA-N
SMILES:
N#CC1C(=O)Cc2c1cccc2
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties