| CAS Number | 1375069-29-6 |
| Catalog Number | AG0013FG(AGN-PC-0WRA8E) |
| Chemical Name | {4-[4-(Piperidinocarbonyl)phenyl]phenyl}acetic acid |
| IUPAC Name | 2-[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]acetic acid |
| InChI | InChI=1S/C20H21NO3/c22-19(23)14-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20(24)21-12-2-1-3-13-21/h4-11H,1-3,12-14H2,(H,22,23) |
| InChI Key | JVGUJFHLJQWVBQ-UHFFFAOYSA-N |
| MDL Number | MFCD22205804 |
| Molecular Formula | C20H21NO3 |
| Molecular Weight | 323.3856 |
| SMILES | O=C(c1ccc(cc1)c1ccc(cc1)CC(=O)O)N1CCCCC1 |
| Synonyms | 1375069-29-6,
{4-[4-(Piperidinocarbonyl)phenyl]phenyl}acetic acid,
(4-[4-(PIPERIDINOCARBONYL)PHENYL]PHENYL)ACETIC ACID,
2-(4'-(Piperidine-1-carbonyl)-[1,1'-biphenyl]-4-yl)acetic acid,
ACMC-209cdx,
CTK8B0677,
DTXSID20743008,
ANW-20323,
MFCD22205804,
ZINC85477251,
TC-109068,
K-4448,
[1,1'-Biphenyl]-4-acetic acid, 4'-(1-piperidinylcarbonyl)-,
[4'-(Piperidine-1-carbonyl)[1,1'-biphenyl]-4-yl]acetic acid,
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| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.392g/mol |
| Monoisotopic Mass | 323.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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