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2-(oxan-3-ylidene)acetonitrile

2-(oxan-3-ylidene)acetonitrile

CAS: 1344743-58-3

Formula: C7H9NO

SMILES: N#CC=C1CCCOC1

IUPAC: 2-(oxan-3-ylidene)acetonitrile

InChI: InChI=1S/C7H9NO/c8-4-3-7-2-1-5-9-6-7/h3H,1-2,5-6H2

Composition: C (68.27%), H (7.37%), N (11.37%), O (12.99%)

Molar Mass: 123.155

Atom Count: 18

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 123.068413914
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LHFOEMFTZABOKR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.62
Topological Polar Surface Area 33.02
Polarizability 13.19
Ring Count 1
Rotatable Bond Count 0

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