Home Nitriles 3,4-dihydro-1H-2-benzopyran-1-carbonitrile

3,4-dihydro-1H-2-benzopyran-1-carbonitrile

CAS No.:
13328-80-8
Catalog Number:
AG01A4UD
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A4UD
Chemical Name:
3,4-dihydro-1H-2-benzopyran-1-carbonitrile
CAS Number:
13328-80-8
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00457644
IUPAC Name:
3,4-dihydro-1H-isochromene-1-carbonitrile
InChI:
InChI=1S/C10H9NO/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10H,5-6H2
InChI Key:
ARLGORVIXMZQDV-UHFFFAOYSA-N
SMILES:
N#CC1OCCc2c1cccc2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties