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methyl 3-(pyrimidin-4-yl)propanoate

methyl 3-(pyrimidin-4-yl)propanoate

CAS: 2435-42-9

Formula: C8H10N2O2

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

IUPAC: methyl 3-(pyrimidin-4-yl)propanoate

InChI: InChI=1S/C8H10N2O2/c1-12-8(11)3-2-7-4-5-9-6-10-7/h4-6H,2-3H2,1H3

Composition: C (57.82%), H (6.07%), N (16.86%), O (19.26%)

Molar Mass: 166.18

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 166.07422757
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey WBFUHHNTIXPYDM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.98
Topological Polar Surface Area 52.08
Polarizability 16.7
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2435-42-9 $286.35-$4,597.70$286.35$457.70$687.70$1,147.70$4,597.70
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