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4-[(1Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid

4-[(1Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid

CAS: 133005-88-6

Formula: C16H12O4

SMILES: OC(=O)C1=CC=C(C=C/C2=CC=C(C=C2)C(O)=O)C=C1

IUPAC: 4-[(1Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid

InChI: InChI=1S/C16H12O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H,17,18)(H,19,20)/b2-1-

Composition: C (71.64%), H (4.51%), O (23.86%)

Molar Mass: 268.268

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 268.073558866
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey SBBQDUFLZGOASY-UPHRSURJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.03
Topological Polar Surface Area 74.6
Polarizability 28.01
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 133005-88-6 $92.00-$164.45$92.00$164.45
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