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(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid

(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid

CAS: 1519-55-7

Formula: C11H9NO3

SMILES: COC1=CC=C(C=C(/C#N)C(O)=O)C=C1

IUPAC: (2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid

InChI: InChI=1S/C11H9NO3/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b9-6+

Composition: C (65.02%), H (4.46%), N (6.89%), O (23.62%)

Molar Mass: 203.197

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 203.058243154
Formal Charge 0
FSP3 0.09
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KMHNRJDDHTZZDZ-RMKNXTFCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.58
Topological Polar Surface Area 70.32
Polarizability 20.34
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1519-55-7 $33.35-$62.10$33.35$62.10
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