Home Nitriles 2-(3,4-dihydro-1H-2-benzopyran-1-yl)acetonitrile

2-(3,4-dihydro-1H-2-benzopyran-1-yl)acetonitrile

CAS No.:
22901-13-9
Catalog Number:
AG01BDET
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
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Product Description
Catalog Number:
AG01BDET
Chemical Name:
2-(3,4-dihydro-1H-2-benzopyran-1-yl)acetonitrile
CAS Number:
22901-13-9
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD18416364
IUPAC Name:
2-(3,4-dihydro-1H-isochromen-1-yl)acetonitrile
InChI:
InChI=1S/C11H11NO/c12-7-5-11-10-4-2-1-3-9(10)6-8-13-11/h1-4,11H,5-6,8H2
InChI Key:
BCDUGJGMPGSWGG-UHFFFAOYSA-N
SMILES:
N#CCC1OCCc2c1cccc2
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties