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3-[(3-methoxyphenyl)carbamoyl]prop-2-enoic acid

3-[(3-methoxyphenyl)carbamoyl]prop-2-enoic acid

CAS: 306935-71-7

Formula: C11H11NO4

SMILES: COC1=CC=CC(NC(=O)C=CC(O)=O)=C1

IUPAC: 3-[(3-methoxyphenyl)carbamoyl]prop-2-enoic acid

InChI: InChI=1S/C11H11NO4/c1-16-9-4-2-3-8(7-9)12-10(13)5-6-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)

Composition: C (59.73%), H (5.01%), N (6.33%), O (28.93%)

Molar Mass: 221.212

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 221.068807838
Formal Charge 0
FSP3 0.09
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CXOUTHKBZTXXAU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.35
Topological Polar Surface Area 75.63
Polarizability 21.73
Ring Count 1
Rotatable Bond Count 4

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Purity (%)
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Ships Within
Days
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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 306935-71-7 $427.80-$805.00$427.80$443.90$657.80$805.00
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