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methyl 3-(pyridin-2-yl)prop-2-enoate

methyl 3-(pyridin-2-yl)prop-2-enoate

CAS: 50610-14-5

Formula: C9H9NO2

SMILES: COC(=O)C=CC1=CC=CC=N1

IUPAC: methyl 3-(pyridin-2-yl)prop-2-enoate

InChI: InChI=1S/C9H9NO2/c1-12-9(11)6-5-8-4-2-3-7-10-8/h2-7H,1H3

Composition: C (66.25%), H (5.56%), N (8.58%), O (19.61%)

Molar Mass: 163.176

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 163.063328534
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey CPRVUFHSLSLFOF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.22
Topological Polar Surface Area 39.19
Polarizability 17.32
Ring Count 1
Rotatable Bond Count 3

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