Name: Name:4-(tert-butoxy)-2-methyl-4-oxobutanoic acid
Brand: Angene
SKU: AG01A6Z9
Rating: 90 (10 reviews)

4-(tert-butoxy)-2-methyl-4-oxobutanoic acid

CAS No.:

76904-18-2

Catalog Number:

AG01A6Z9

Molecular Formula:

C9H16O4

Molecular Weight:

188.2209

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Product Description

Catalog Number:

AG01A6Z9

Chemical Name:

4-(tert-butoxy)-2-methyl-4-oxobutanoic acid

CAS Number:

76904-18-2

Molecular Formula:

C9H16O4

Molecular Weight:

188.2209

MDL Number:

MFCD20653174

IUPAC Name:

2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

InChI:

InChI=1S/C9H16O4/c1-6(8(11)12)5-7(10)13-9(2,3)4/h6H,5H2,1-4H3,(H,11,12)

InChI Key:

RSLMNCHJSYDERN-UHFFFAOYSA-N

SMILES:

CC(C(=O)O)CC(=O)OC(C)(C)C

Properties

Complexity:

202

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

188.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

188.223g/mol

Monoisotopic Mass:

188.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Synthesis of (R)- and (S)- muscone.	Bioscience, biotechnology, and biochemistry 20020601