2,3-dihydro-1,4-benzodioxine-5-carbonitrile

2,3-dihydro-1,4-benzodioxine-5-carbonitrile

CAS: 148703-14-4

Formula: C9H7NO2

SMILES: N#CC1=CC=CC2=C1OCCO2

IUPAC: 2,3-dihydro-1,4-benzodioxine-5-carbonitrile

InChI: InChI=1S/C9H7NO2/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3H,4-5H2

Composition: C (67.08%), H (4.38%), N (8.69%), O (19.85%)

Molar Mass: 161.16

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	161.047678469
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WNNQCWLSQDNACP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.74
Topological Polar Surface Area	42.25
Polarizability	16.48
Ring Count	2
Rotatable Bond Count	0

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