| CAS Number | 234082-00-9 |
| Catalog Number | AG00J09G(AGN-PC-0O83PQ) |
| Chemical Name | 14-(Tert-butoxy)-14-oxotetradecanoic acid |
| IUPAC Name | 14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid |
| InChI | InChI=1S/C18H34O4/c1-18(2,3)22-17(21)15-13-11-9-7-5-4-6-8-10-12-14-16(19)20/h4-15H2,1-3H3,(H,19,20) |
| InChI Key | MNMGREKTJAQGNV-UHFFFAOYSA-N |
| MDL Number | MFCD23136040 |
| Molecular Formula | C18H34O4 |
| Molecular Weight | 314.4602 |
| SMILES | C(C)(C)(C)OC(CCCCCCCCCCCCC(=O)O)=O |
| Synonyms | 14-(tert-butoxy)-14-oxotetradecanoic acid,
234082-00-9,
14-tert-butoxy-14-oxotetradecanoic acid,
SCHEMBL2183805,
MNMGREKTJAQGNV-UHFFFAOYSA-N,
KS-00002B9V,
ZX-RL000703,
MFCD23136040,
ZINC91294585,
AKOS025393543,
SS-4583,
DA-07863,
OR303208,
tetradecanedioic acid mono-tert-butyl ester,
FT-0739710,
14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.246g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.466g/mol |
| Monoisotopic Mass | 314.246g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number