Home Carboxys rac-tert-butyl (1R,3S)-3-acetyl-2,2-dimethylcyclobutane-1-carboxylate, cis

rac-tert-butyl (1R,3S)-3-acetyl-2,2-dimethylcyclobutane-1-carboxylate, cis

CAS No.:
527751-13-9
Catalog Number:
AG01C34K
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
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Product Description
Catalog Number:
AG01C34K
Chemical Name:
rac-tert-butyl (1R,3S)-3-acetyl-2,2-dimethylcyclobutane-1-carboxylate, cis
CAS Number:
527751-13-9
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
MDL Number:
MFCD29762785
IUPAC Name:
tert-butyl (1S,3R)-3-acetyl-2,2-dimethylcyclobutane-1-carboxylate
InChI:
InChI=1S/C13H22O3/c1-8(14)9-7-10(13(9,5)6)11(15)16-12(2,3)4/h9-10H,7H2,1-6H3/t9-,10+/m0/s1
InChI Key:
WPGRNRNFZMZNFY-VHSXEESVSA-N
SMILES:
O=C([C@H]1C[C@H](C1(C)C)C(=O)C)OC(C)(C)C
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties