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122699-51-8 | Cyclobutanecarboxylic acid, 3-methylene-, 1,1-dimethylethyl ester
CAS No: 122699-51-8 Catalog No: AG000J07 MDL No:
Product Description
Catalog Number:
AG000J07
Chemical Name:
Cyclobutanecarboxylic acid, 3-methylene-, 1,1-dimethylethyl ester
CAS Number:
122699-51-8
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
tert-butyl 3-methylidenecyclobutane-1-carboxylate
InChI:
InChI=1S/C10H16O2/c1-7-5-8(6-7)9(11)12-10(2,3)4/h8H,1,5-6H2,2-4H3
InChI Key:
FLQMUIAECQUUIU-UHFFFAOYSA-N
SMILES:
O=C(C1CC(=C)C1)OC(C)(C)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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