2-phenoxyacetonitrile

2-phenoxyacetonitrile

CAS: 3598-14-9

Formula: C8H7NO

SMILES: N#CCOC1=CC=CC=C1

IUPAC: 2-phenoxyacetonitrile

InChI: InChI=1S/C8H7NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2

Composition: C (72.17%), H (5.30%), N (10.52%), O (12.02%)

Molar Mass: 133.15

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	133.052763849
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VLLSCJFPVSQXDM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.59
Topological Polar Surface Area	33.02
Polarizability	14.53
Ring Count	1
Rotatable Bond Count	2

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