Home Nitriles 1,4-Benzodioxin-2-acetonitrile,2,3-dihydro-

1,4-Benzodioxin-2-acetonitrile,2,3-dihydro-

CAS No.:
18505-91-4
Catalog Number:
AG007RQV
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
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Product Description
Catalog Number:
AG007RQV
Chemical Name:
1,4-Benzodioxin-2-acetonitrile,2,3-dihydro-
CAS Number:
18505-91-4
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD01175148
IUPAC Name:
2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile
InChI:
InChI=1S/C10H9NO2/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8H,5,7H2
InChI Key:
PWZFEIJALHLRKF-UHFFFAOYSA-N
SMILES:
N#CCC1COc2c(O1)cccc2
NSC Number:
106870
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties