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ethyl 2-cyanobenzoate

ethyl 2-cyanobenzoate

CAS: 6525-45-7

Formula: C10H9NO2

SMILES: CCOC(=O)C1=C(C=CC=C1)C#N

IUPAC: ethyl 2-cyanobenzoate

InChI: InChI=1S/C10H9NO2/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h3-6H,2H2,1H3

Composition: C (68.56%), H (5.18%), N (8.00%), O (18.27%)

Molar Mass: 175.187

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 175.063328534
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey RQQAJOJDAZNFPF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.55
Topological Polar Surface Area 50.09
Polarizability 18.42
Ring Count 1
Rotatable Bond Count 3

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