2-Ethoxypentanoic Acid - CAS 90937-93-2

Catalog:	BB039998
Product Name:	2-Ethoxypentanoic Acid
CAS:	90937-93-2
Synonyms:	2-ethoxypentanoic acid; 2-ethoxypentanoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-ethoxypentanoic acid
Description:	2-Ethoxypentanoic Acid (CAS# 90937-93-2) is a useful research chemical.
Molecular Weight:	146.18
Molecular Formula:	C7H14O3
Canonical SMILES:	CCCC(C(=O)O)OCC
InChI:	InChI=1S/C7H14O3/c1-3-5-6(7(8)9)10-4-2/h6H,3-5H2,1-2H3,(H,8,9)
InChI Key:	QPVYHONHMKBUJQ-UHFFFAOYSA-N
Boiling Point:	247.6 °C at 760 mmHg
Density:	1.005 g/cm³
LogP:	1.27620

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Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.094294304
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.094294304
Rotatable Bond Count:	5
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3