T-Butyl Acetoacetate

CAT: 0203-06035-22Size: 25 mLDry Ice: NoHazardous: No

1 / 1

CAT#:0203-06035-22Size:25 mL

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1694-31-1

Purity

≧ 95.0% (GC)

Storage Conditions

Room Temperature

Grade

EP (Extra Pure Reagent)

Chemical Information

Tert-butyl acetoacetate

CAS Number	1694-31-1
PubChem CID	15538
IUPAC Name	tert-butyl 3-oxobutanoate
Molecular Formula	C8H14O3
Molecular Weight	158.19
XLogP	1
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	165

SMILES

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

InChI

InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3

InChIKey

JKUYRAMKJLMYLO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1694-31-1

CID: 15538

Formula: C8H14O3

MW: 158.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.19
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	158.094294304
Monoisotopic Mass	158.094294304
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	165
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes