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(2E)-3-(2-methoxypyridin-3-yl)prop-2-enoic acid

(2E)-3-(2-methoxypyridin-3-yl)prop-2-enoic acid

CAS: 131674-41-4

Formula: C9H9NO3

SMILES: COC1=NC=CC=C1C=CC(O)=O

IUPAC: (2E)-3-(2-methoxypyridin-3-yl)prop-2-enoic acid

InChI: InChI=1S/C9H9NO3/c1-13-9-7(3-2-6-10-9)4-5-8(11)12/h2-6H,1H3,(H,11,12)/b5-4+

Composition: C (60.33%), H (5.06%), N (7.82%), O (26.79%)

Molar Mass: 179.175

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 179.058243154
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MTVRDAQJMCORAQ-SNAWJCMRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.68
Topological Polar Surface Area 59.42
Polarizability 17.78
Ring Count 1
Rotatable Bond Count 3

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 131674-41-4 $33.35-$1,236.25$33.35$394.45$635.95$1,236.25
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