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3-(pyrimidin-4-yl)propanoic acid

3-(pyrimidin-4-yl)propanoic acid

CAS: 819850-17-4

Formula: C7H8N2O2

SMILES: OC(=O)CCC1=CC=NC=N1

IUPAC: 3-(pyrimidin-4-yl)propanoic acid

InChI: InChI=1S/C7H8N2O2/c10-7(11)2-1-6-3-4-8-5-9-6/h3-5H,1-2H2,(H,10,11)

Composition: C (55.26%), H (5.30%), N (18.41%), O (21.03%)

Molar Mass: 152.153

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 152.058577506
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VWNJMRNPQZKKAU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.21
Topological Polar Surface Area 63.08
Polarizability 14.63
Ring Count 1
Rotatable Bond Count 3

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Kinentia Biosciences LLC
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 819850-17-4 $635.04-$963.90$635.04$963.90
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J&W PHARMLAB LLC
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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 819850-17-4 $342.70-$3,737.50$342.70$457.70$572.70$687.70$1,012.00$3,737.50
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