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3-[(pyridin-4-yl)carbamoyl]propanoic acid

3-[(pyridin-4-yl)carbamoyl]propanoic acid

CAS: 62134-51-4

Formula: C9H10N2O3

SMILES: OC(=O)CCC(=O)NC1=CC=NC=C1

IUPAC: 3-[(pyridin-4-yl)carbamoyl]propanoic acid

InChI: InChI=1S/C9H10N2O3/c12-8(1-2-9(13)14)11-7-3-5-10-6-4-7/h3-6H,1-2H2,(H,13,14)(H,10,11,12)

Composition: C (55.67%), H (5.19%), N (14.43%), O (24.72%)

Molar Mass: 194.19

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.06914219
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey TXUITVBFNLOICH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.66
Topological Polar Surface Area 79.29
Polarizability 18.58
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 62134-51-4 $213.90-$329.41$213.90$329.41
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