2-methyl-5-phenylfuran-3-carbonitrile

2-methyl-5-phenylfuran-3-carbonitrile

CAS: 382167-57-9

Formula: C12H9NO

SMILES: CC1=C(C=C(O1)C1=CC=CC=C1)C#N

IUPAC: 2-methyl-5-phenylfuran-3-carbonitrile

InChI: InChI=1S/C12H9NO/c1-9-11(8-13)7-12(14-9)10-5-3-2-4-6-10/h2-7H,1H3

Composition: C (78.67%), H (4.95%), N (7.65%), O (8.73%)

Molar Mass: 183.21

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	183.068413914
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NNQFNQXAGPIWAQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.46
Topological Polar Surface Area	36.93
Polarizability	21.78
Ring Count	2
Rotatable Bond Count	1

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