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methyl 4-[(1E)-2-[4-(methoxycarbonyl)phenyl]ethenyl]benzoate

methyl 4-[(1E)-2-[4-(methoxycarbonyl)phenyl]ethenyl]benzoate

CAS: 1540-32-5

Formula: C18H16O4

SMILES: COC(=O)C1=CC=C(C=CC2=CC=C(C=C2)C(=O)OC)C=C1

IUPAC: methyl 4-[(1E)-2-[4-(methoxycarbonyl)phenyl]ethenyl]benzoate

InChI: InChI=1S/C18H16O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h3-12H,1-2H3/b4-3+

Composition: C (72.96%), H (5.44%), O (21.60%)

Molar Mass: 296.322

Atom Count: 38

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 296.104858995
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JOODVYOWCWQPMV-ONEGZZNKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.56
Topological Polar Surface Area 52.6
Polarizability 32.19
Ring Count 2
Rotatable Bond Count 6

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