AG00DDTH

439108-20-0 | 3-(Pyrimidin-2-yl)propanoic acid

AG00DDTH

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CAS Number	439108-20-0
Catalog Number	AG00DDTH(AGN-PC-0LNIVL)
Chemical Name	3-(Pyrimidin-2-yl)propanoic acid
IUPAC Name	3-pyrimidin-2-ylpropanoic acid
InChI	InChI=1S/C7H8N2O2/c10-7(11)3-2-6-8-4-1-5-9-6/h1,4-5H,2-3H2,(H,10,11)
InChI Key	UXTNNDRHOGJJFE-UHFFFAOYSA-N
MDL Number	MFCD00223696
Molecular Formula	C7H8N2O2
Molecular Weight	152.1506
SMILES	OC(=O)CCc1ncccn1
Synonyms	3-(Pyrimidin-2-yl)propanoic acid, 439108-20-0, 3-Pyrimidin-2-yl-Propionic Acid, 3-pyrimidin-2-ylpropanoic Acid, 2-Pyrimidinepropanoic acid, 2-Pyrimidinepropanoicacid, AC1NP7MR, Pyrimidine-2-propionic acid, SCHEMBL241757, PYR062, CTK1D5667, DTXSID00408921, ZINC392484, 6060AB, ANW-72237, BBL101752, MFCD00223696, STL555549, AKOS005255088, MCULE-6402169801, AJ-21239, AS-47410, SC-22039, DB-049913, RT-008873, FT-0730963, X-4370, Z2186881894, C7H8N2O2, 3-PYRIMIDIN-2-YL-PROPIONICACID, CID5152885,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.059g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	152.153g/mol
Monoisotopic Mass	152.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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