| CAS Number | 59100-95-7 |
| Catalog Number | AG00INQ0(AGN-PC-0KZ12E) |
| Chemical Name | 4-(10-undecenyloxy)benzenecarboxylic acid |
| IUPAC Name | 4-undec-10-enoxybenzoic acid |
| InChI | InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20/h2,11-14H,1,3-10,15H2,(H,19,20) |
| InChI Key | AWUMMWYGOIPYOJ-UHFFFAOYSA-N |
| MDL Number | MFCD01568861 |
| Molecular Formula | C18H26O3 |
| Molecular Weight | 290.3972 |
| SMILES | O=C(O)C1(=CC=C(OCCCCCCCCCC=C)C=C1) |
| Synonyms | 59100-95-7,
Benzoic acid, 4-(10-undecenyloxy)-,
4-(10-undecenyloxy)benzenecarboxylic acid,
4-(UNDEC-10-EN-1-YLOXY)BENZOIC ACID,
4-undec-10-enoxybenzoic Acid,
AC1MVUDV,
SCHEMBL2622416,
CHEMBL3273808,
CTK1E8155,
p-(10-undecenyl)oxybenzoic acid,
DTXSID90395396,
4-(10-Undecenyloxy)benzoic acid,
AWUMMWYGOIPYOJ-UHFFFAOYSA-N,
KS-00001SX5,
ZINC2381141,
4-(10-unde-cenyloxy) benzoic acid,
AKOS005080904,
MCULE-4415470723,
12N-112,
CID3713710,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.403g/mol |
| Monoisotopic Mass | 290.188g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.1 |
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