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

1-[(tert-butoxy)carbonyl]cyclopropane-1-carboxylic acid

CAS No.:
1268842-79-0
Catalog Number:
AG01C28H
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
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Product Description
Catalog Number:
AG01C28H
Chemical Name:
1-[(tert-butoxy)carbonyl]cyclopropane-1-carboxylic acid
CAS Number:
1268842-79-0
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
MDL Number:
MFCD22372629
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C9H14O4/c1-8(2,3)13-7(12)9(4-5-9)6(10)11/h4-5H2,1-3H3,(H,10,11)
InChI Key:
FSQXAHDYGFYONQ-UHFFFAOYSA-N
SMILES:
O=C(C1(CC1)C(=O)O)OC(C)(C)C
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties