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2-Pyrimidineacetic Acid

CAT: 0572-TRC-P997230-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P997230-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66621-73-6
Synonyms
(Pyrimid-2-yl)acetic Acid; 2-(Pyrimidin-2-yl)acetic Acid
Hazard Statement
No Data Available
Smiles
O=C(O)CC1=NC=CC=N1
Molecular Formula
C6H6N2O2
Molecular Weight
138.12
InChI
InChI=1S/C6H6N2O2/c9-6(10)4-5-7-2-1-3-8-5/h1-3H,4H2,(H,9,10)
Additionnal Information
IUPAC name: 2-(pyrimidin-2-yl)acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Pyrimidineacetic Acid

2-Pyrimidine Acetic Acid is a member of pyrimidines.

CAS Number66621-73-6
PubChem CID12367098
IUPAC Name2-pyrimidin-2-ylacetic acid
Molecular FormulaC6H6N2O2
Molecular Weight138.12
XLogP-0.3
Topological Polar Surface Area63.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity121
SMILES
C1=CN=C(N=C1)CC(=O)O
InChI
InChI=1S/C6H6N2O2/c9-6(10)4-5-7-2-1-3-8-5/h1-3H,4H2,(H,9,10)
InChIKey
NRRCYZPJUABYHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Pyrimidineacetic Acid
CAS: 66621-73-6
CID: 12367098
Formula: C6H6N2O2
MW: 138.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight138.12
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass138.042927438
Monoisotopic Mass138.042927438
Topological Polar Surface Area63.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes