Home Nitriles 4-oxo-4H-chromene-7-carbonitrile

4-oxo-4H-chromene-7-carbonitrile

CAS No.:
102297-64-3
Catalog Number:
AG01BHKU
Molecular Formula:
C10H5NO2
Molecular Weight:
171.1522
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Product Description
Catalog Number:
AG01BHKU
Chemical Name:
4-oxo-4H-chromene-7-carbonitrile
CAS Number:
102297-64-3
Molecular Formula:
C10H5NO2
Molecular Weight:
171.1522
MDL Number:
MFCD24708407
IUPAC Name:
4-oxochromene-7-carbonitrile
InChI:
InChI=1S/C10H5NO2/c11-6-7-1-2-8-9(12)3-4-13-10(8)5-7/h1-5H
InChI Key:
JSMFLJPIYHCDPN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)occc2=O
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.032g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.155g/mol
Monoisotopic Mass:
171.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties