AG005TSD

77479-02-8 | 2,5-Pyrazinedipropanoic Acid

AG005TSD

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CAS Number	77479-02-8
Catalog Number	AG005TSD(AGN-PC-03EKLQ)
Chemical Name	2,5-Pyrazinedipropanoic Acid
IUPAC Name	3-[5-(2-carboxyethyl)pyrazin-2-yl]propanoic acid
InChI	InChI=1S/C10H12N2O4/c13-9(14)3-1-7-5-12-8(6-11-7)2-4-10(15)16/h5-6H,1-4H2,(H,13,14)(H,15,16)
InChI Key	LPCBENZWRKDJSS-UHFFFAOYSA-N
MDL Number	MFCD21363079
Molecular Formula	C10H12N2O4
Molecular Weight	224.2133
SMILES	C(CC(=O)O)c1cnc(cn1)CCC(=O)O
Synonyms	2,5-Pyrazinedipropanoic acid, 77479-02-8, 3,3'-(Pyrazine-2,5-diyl)dipropanoic acid, B-3400, pyrazine-2,5-dipropionic acid, SCHEMBL2113281, CTK2G6369, DTXSID60617431, 2,5-Bis(beta-carboxyethyl)pyrazin, ZINC84397668, ACN-046321,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.08g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	224.216g/mol
Monoisotopic Mass	224.08g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

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