| CAS Number | 230613-81-7 |
| Catalog Number | AG002M2K(AGN-PC-07HAT2) |
| Chemical Name | Dodecanoic acid, 12-(4-nitrophenoxy)- |
| IUPAC Name | 12-(4-nitrophenoxy)dodecanoic acid |
| InChI | InChI=1S/C18H27NO5/c20-18(21)10-8-6-4-2-1-3-5-7-9-15-24-17-13-11-16(12-14-17)19(22)23/h11-14H,1-10,15H2,(H,20,21) |
| InChI Key | SVQZCSVOBTWEFB-UHFFFAOYSA-N |
| MDL Number | MFCD28015652 |
| Molecular Formula | C18H27NO5 |
| Molecular Weight | 337.4107 |
| SMILES | [N+](=O)([O-])C1=CC=C(OCCCCCCCCCCCC(=O)O)C=C1 |
| Synonyms | 12-pNCA,
p-nitrophenoxydodecanoic acid,
12-(4-NITROPHENOXY)DODECANOIC ACID,
230613-81-7,
Dodecanoic acid, 12-(4-nitrophenoxy)-,
12-pNCA,
SCHEMBL93219,
12-p-nitrophenoxydodecanoic acid,
CTK4F0790,
DTXSID60671871,
KS-000000OQ,
MFCD28015652,
ZINC44667955,
12-(para-nitrophenoxy)dodecanoic acid,
AKOS024257967,
TRA0027093,
Dodecanoicacid,12-(4-nitrophenoxy)-,
108847-76-3,
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| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.416g/mol |
| Monoisotopic Mass | 337.189g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.1 |
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Certificate of Analysis
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