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137600-44-3 | Tridecanoic acid, 1,1-dimethylethyl ester
CAS No: 137600-44-3 Catalog No: AG0013MP MDL No:
Product Description
Catalog Number:
AG0013MP
Chemical Name:
Tridecanoic acid, 1,1-dimethylethyl ester
CAS Number:
137600-44-3
Molecular Formula:
C17H34O2
Molecular Weight:
270.4507
IUPAC Name:
tert-butyl tridecanoate
InChI:
InChI=1S/C17H34O2/c1-5-6-7-8-9-10-11-12-13-14-15-16(18)19-17(2,3)4/h5-15H2,1-4H3
InChI Key:
VOQGPEXTSWBDOK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(=O)OC(C)(C)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.256g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.457g/mol
Monoisotopic Mass:
270.256g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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