Home Carboxys 2-[(tert-butoxy)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid

2-[(tert-butoxy)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid

CAS No.:
1955530-74-1
Catalog Number:
AG01B23S
Molecular Formula:
C13H20O4
Molecular Weight:
240.2955
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Product Description
Catalog Number:
AG01B23S
Chemical Name:
2-[(tert-butoxy)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CAS Number:
1955530-74-1
Molecular Formula:
C13H20O4
Molecular Weight:
240.2955
MDL Number:
MFCD29991553
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
InChI:
InChI=1S/C13H20O4/c1-12(2,3)17-11(16)13(10(14)15)7-8-4-5-9(13)6-8/h8-9H,4-7H2,1-3H3,(H,14,15)
InChI Key:
JHHHMSZSSJJDLJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC2CC1CC2)C(=O)OC(C)(C)C
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.136g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.299g/mol
Monoisotopic Mass:
240.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties