Common molecules sample 50817

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Empirical formula:	C₃H₄O₄
a:	5.330 Å
b:	5.140 Å
c:	11.250 Å
α (alpha):	102.70 °
β (beta):	135.17 °
γ (gamma):	85.17 °
Volume:	210.82 Å³
Space group:	P-1
Calculated density:	1.639 g/cm³
Z:	2
Temperature:	22.0 °C
Formula weight:	104.062 g/mole
R(F):	0.1320
Common name:	Malonic acid
CSD refcode:	MALNAC
Short description:	Propanedioic acid, also known as malonic acid, is a white crystalline dicarboxylic acid.
Keyword:	barbiturates
Keyword:	frangrances
CAS registry number:	141-82-2
Miscellaneous comments:	apple
IUPAC name:	Propanedioic acid
Layman's explanation:	Propanedioic acid is a dibasic carboxylic acid that was first synthesized by oxidizing malic acid in 1858 by a scientist named Dessaigne. Naturally, propandioic acid is found in apples. This chemical is relatively unstable and has few uses, but its ester derivative, diethyl malonate, is used to synthesize useful compounds such as barbiturates, flavors, fragrances, and vitamins (B1 and B6).
Citation of a publication:	J.A.Goedkoop, C.H.MacGillavry; Acta Crystallogr., 10, (1957), 125
Lab name:	Common molecules
Sample provider:	Obtained courtesy of the Cambridge Structural Database
Status:	Complete, visible to public

Repository Files:
50817.cif	50817.crt	50817.gif	50817.GIF	50817.ort
50817.pdb	50817.sdt