2-Pyrimidineacetic acid

CAT: 0127-OR951464-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR951464-01Size:100 mg

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CAS Number

66621-73-6

MDL Number

MFCD04973302

Purity

95%

Smiles

OC(=O)Cc1ncccn1

Storage Conditions

Store at -20°C

Chemical Information

2-Pyrimidineacetic Acid

2-Pyrimidine Acetic Acid is a member of pyrimidines.

CAS Number	66621-73-6
PubChem CID	12367098
IUPAC Name	2-pyrimidin-2-ylacetic acid
Molecular Formula	C6H6N2O2
Molecular Weight	138.12
XLogP	-0.3
Topological Polar Surface Area	63.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	121

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

CAS: 66621-73-6

CID: 12367098

Formula: C6H6N2O2

MW: 138.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.12
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	138.042927438
Monoisotopic Mass	138.042927438
Topological Polar Surface Area	63.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	121
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1008810-01	(S) -Tetrahydro-alpha- (1-Methylethyl) -2-Oxo-1 (2H) -Pyrimidineacetic Acid
PC448016-01	5-Fluoro-3,4-dihydro-2,4-dioxo-1 (2H) -Pyrimidineacetic Acid
PC1026766-01	α, α,3-Trifluoro-2-pyridineacetic acid
OR1036786	6- (Methylamino) -2-pyridineacetic acid
PC110838-01	A, a,5-Trifluoro-2-pyridineacetic acid
PC110624-01	A, a-Difluoro-5-methoxy-2-pyridineacetic acid
OR1035175-01	2-Pyridineacetic acid, 6-bromo-, methyl ester
OR313081-01	4-Pyridineacetic acid
PC110607-01	2,6-Dichloro-a, a-difluoro-4-pyridineacetic acid
OR951528-01	6-Methoxy-3-pyridineacetic acid

Catalog	Name
419138-01	2-Pyrimidineacetic Acid
JH917876	5-Pyrimidineacetic acid, 2-chloro-
sc-473904	2- (Trifluoromethyl) -5-pyrimidineacetic Acid
TRC-T791445-250MG	2-(Trifluoromethyl)-5-pyrimidineacetic Acid
abx185748-01	2-Pyrimidineacetic acid ethyl ester
abx182140-01	4-Pyrimidineacetic acid ethyl ester
QCC47816-01	2-Butyl-1,6-dihydro-4-methyl-6-oxo-5-pyrimidineacetic acid
436556-01	5-Fluoro-3,4-dihydro-2,4-dioxo-1 (2h) -pyrimidineacetic acid
DHA55416-01	2-Butyl-1,6-dihydro-4-methyl-6-oxo-1-[[2′- (2H-tetrazol-5-yl) [1,1′-biphenyl]-4-yl]methyl]-5-pyrimidineacetic acid
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)