2,3-dihydro-1,4-benzodioxine-6-carbonitrile

2,3-dihydro-1,4-benzodioxine-6-carbonitrile

CAS: 19102-07-9

Formula: C9H7NO2

SMILES: N#CC1=CC=C2OCCOC2=C1

IUPAC: 2,3-dihydro-1,4-benzodioxine-6-carbonitrile

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

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	JGSRMKGBXNXODT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.74
Topological Polar Surface Area	42.25
Polarizability	16.47
Ring Count	2
Rotatable Bond Count	0

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