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113719-02-1 | Cyclopropanecarboxylic acid, 2,4,6-tris(1,1-dimethylethyl)phenyl ester
CAS No: 113719-02-1 Catalog No: AG0009GM MDL No:
Product Description
Catalog Number:
AG0009GM
Chemical Name:
Cyclopropanecarboxylic acid, 2,4,6-tris(1,1-dimethylethyl)phenyl ester
CAS Number:
113719-02-1
Molecular Formula:
C22H34O2
Molecular Weight:
330.5042
IUPAC Name:
(2,4,6-tritert-butylphenyl) cyclopropanecarboxylate
InChI:
InChI=1S/C22H34O2/c1-20(2,3)15-12-16(21(4,5)6)18(17(13-15)22(7,8)9)24-19(23)14-10-11-14/h12-14H,10-11H2,1-9H3
InChI Key:
NWQMNHRWKFTWBJ-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.256g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.512g/mol
Monoisotopic Mass:
330.256g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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