Text Search
Structure Search

pyrimidin-4-ylacetic acid

pyrimidin-4-ylacetic acid

CAS: 325491-53-0

Formula: C6H6N2O2

SMILES: OC(=O)CC1=NC=NC=C1

IUPAC: 2-(pyrimidin-4-yl)acetic acid

InChI: InChI=1S/C6H6N2O2/c9-6(10)3-5-1-2-7-4-8-5/h1-2,4H,3H2,(H,9,10)

Composition: C (52.17%), H (4.38%), N (20.28%), O (23.17%)

Molar Mass: 138.126

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 138.042927441
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey INKXJLOOBMPRMB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.66
Topological Polar Surface Area 63.08
Polarizability 12.8
Ring Count 1
Rotatable Bond Count 2

Suppliers

No suppliers are currently stocking this item.