2- Propyl-1, 3- Dioxolane- 2- acetic Acid - CAS 5735-99-9

Catalog:	BB058012
Product Name:	2- Propyl-1, 3- Dioxolane- 2- acetic Acid
CAS:	5735-99-9
Synonyms:	2-(2-Propyl-1,3-dioxolan-2-yl)acetate

Technical Data

IUPAC Name:	2-(2-propyl-1,3-dioxolan-2-yl)acetic acid
Description:	2- Propyl-1, 3- Dioxolane- 2- acetic Acid is an intermediate in synthesizing N-(Ketocaproyl)-L-homoserine Lactone (K180750), an autoinducer of P. fischeri luciferase. A specific genetic regulator that is unrelated to at least one of the enzyme systems that it induces, and it acts after excretion and accumulation in the extracellular medium.
Molecular Weight:	174.19
Molecular Formula:	C8H14O4
Canonical SMILES:	CCCC1(OCCO1)CC(=O)O
InChI:	InChI=1S/C8H14O4/c1-2-3-8(6-7(9)10)11-4-5-12-8/h2-6H2,1H3,(H,9,10)
InChI Key:	MNOZBVQGZXOGRT-UHFFFAOYSA-N
Solubility:	Dichloromethane; Methanol
Storage:	-20°C Freezer
References:	Eberhard, A., et al. Biochemistry, 20, 2444 (1981).

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.08920892
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.08920892
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4