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13070-88-7

13070-88-7 | 1H-Indene-2-carbonitrile, 2,3-dihydro-2-[(tetrahydro-2H-pyran-2-yl)oxy]-

CAS No: 13070-88-7 Catalog No: AG000UU2 MDL No:

Product Description

Catalog Number:
AG000UU2
Chemical Name:
1H-Indene-2-carbonitrile, 2,3-dihydro-2-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
13070-88-7
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
2-(oxan-2-yloxy)-1,3-dihydroindene-2-carbonitrile
InChI:
InChI=1S/C15H17NO2/c16-11-15(18-14-7-3-4-8-17-14)9-12-5-1-2-6-13(12)10-15/h1-2,5-6,14H,3-4,7-10H2
InChI Key:
DURQZMZVCBQYOT-UHFFFAOYSA-N
SMILES:
N#CC1(OC2CCCCO2)Cc2c(C1)cccc2
NSC Number:
134293

Properties

Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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