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3-[(3-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(3-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid

Formula: C13H11N3O3

SMILES: CC1=CC=CC(NC(=O)C2=NC=CN=C2C(O)=O)=C1

IUPAC: 3-[(3-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid

InChI: InChI=1S/C13H11N3O3/c1-8-3-2-4-9(7-8)16-12(17)10-11(13(18)19)15-6-5-14-10/h2-7H,1H3,(H,16,17)(H,18,19)

Composition: C (60.70%), H (4.31%), N (16.33%), O (18.66%)

Molar Mass: 257.249

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 257.080041226
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey VRBSUHBUFJZQNU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.83
Topological Polar Surface Area 92.18
Polarizability 25.31
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H11N3O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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