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methyl 4'-(prop-2-enamido)-[1,1'-biphenyl]-4-carboxylate

methyl 4'-(prop-2-enamido)-[1,1'-biphenyl]-4-carboxylate

CAS: 2270918-83-5

Formula: C17H15NO3

SMILES: COC(=O)C1=CC=C(C=C1)C1=CC=C(NC(=O)C=C)C=C1

IUPAC: methyl 4'-(prop-2-enamido)-[1,1'-biphenyl]-4-carboxylate

InChI: InChI=1S/C17H15NO3/c1-3-16(19)18-15-10-8-13(9-11-15)12-4-6-14(7-5-12)17(20)21-2/h3-11H,1H2,2H3,(H,18,19)

Composition: C (72.58%), H (5.37%), N (4.98%), O (17.06%)

Molar Mass: 281.311

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 281.105193347
Formal Charge 0
FSP3 0.06
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KAXXOQUCELKVDF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.73
Topological Polar Surface Area 55.4
Polarizability 32.19
Ring Count 2
Rotatable Bond Count 5

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