Home Carboxys 3-[(tert-butoxy)carbonyl]cyclohexane-1-carboxylic acid

3-[(tert-butoxy)carbonyl]cyclohexane-1-carboxylic acid

CAS No.:
1020965-27-8
Catalog Number:
AG01C4OK
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
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Product Description
Catalog Number:
AG01C4OK
Chemical Name:
3-[(tert-butoxy)carbonyl]cyclohexane-1-carboxylic acid
CAS Number:
1020965-27-8
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
MDL Number:
MFCD22416341
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C12H20O4/c1-12(2,3)16-11(15)9-6-4-5-8(7-9)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)
InChI Key:
NFRPKIATGQQKHI-UHFFFAOYSA-N
SMILES:
O=C(C1CCCC(C1)C(=O)O)OC(C)(C)C
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties