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

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

CAS No.:
109543-00-2
Catalog Number:
AG01AGTC
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
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Product Description
Catalog Number:
AG01AGTC
Chemical Name:
3,4-dihydro-2H-1-benzopyran-4-carbonitrile
CAS Number:
109543-00-2
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD11641469
IUPAC Name:
3,4-dihydro-2H-chromene-4-carbonitrile
InChI:
InChI=1S/C10H9NO/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-6H2
InChI Key:
ABAPCDWXFHBYPE-UHFFFAOYSA-N
SMILES:
N#CC1CCOc2c1cccc2
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:
1.7  
Properties