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138801-92-0

138801-92-0 | 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-oxo-

CAS No: 138801-92-0 Catalog No: AG0019LS MDL No:

Product Description

Catalog Number:
AG0019LS
Chemical Name:
2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-oxo-
CAS Number:
138801-92-0
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
IUPAC Name:
4-oxo-2,3-dihydrochromene-6-carbonitrile
InChI:
InChI=1S/C10H7NO2/c11-6-7-1-2-10-8(5-7)9(12)3-4-13-10/h1-2,5H,3-4H2
InChI Key:
FVBMSIFHHAWXLT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C(=O)CCO2

Properties

Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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