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113975-48-7 | Cyclopropanecarboxylic acid, 2-ethenyl-, 1,1-dimethylethyl ester
CAS No: 113975-48-7 Catalog No: AG000A7V MDL No:
Product Description
Catalog Number:
AG000A7V
Chemical Name:
Cyclopropanecarboxylic acid, 2-ethenyl-, 1,1-dimethylethyl ester
CAS Number:
113975-48-7
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
tert-butyl 2-ethenylcyclopropane-1-carboxylate
InChI:
InChI=1S/C10H16O2/c1-5-7-6-8(7)9(11)12-10(2,3)4/h5,7-8H,1,6H2,2-4H3
InChI Key:
OTBHUSKYELMAMV-UHFFFAOYSA-N
SMILES:
C=CC1CC1C(=O)OC(C)(C)C
Properties
Complexity:
200
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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