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137600-44-3

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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