2-Methoxy-3-methylbutyric Acid - CAS 66018-25-5

Catalog:	BB032878
Product Name:	2-Methoxy-3-methylbutyric Acid
CAS:	66018-25-5
Synonyms:	2-methoxy-3-methylbutanoic acid; 2-methoxy-3-methylbutanoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methoxy-3-methylbutanoic acid
Description:	2-Methoxy-3-methylbutyric Acid (CAS# 66018-25-5) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C6H12O3
Canonical SMILES:	CC(C)C(C(=O)O)OC
InChI:	InChI=1S/C6H12O3/c1-4(2)5(9-3)6(7)8/h4-5H,1-3H3,(H,7,8)
InChI Key:	CRNWYNSIQHMCOB-UHFFFAOYSA-N
LogP:	0.74200

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Complexity:	98.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.078644241
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1