| CAS Number | 1375069-13-8 |
| Catalog Number | AG0013FQ(AGN-PC-0WA3E6) |
| Chemical Name | {3-[3-(Ethylcarbamoyl)phenyl]phenyl}acetic acid |
| IUPAC Name | 2-[3-[3-(ethylcarbamoyl)phenyl]phenyl]acetic acid |
| InChI | InChI=1S/C17H17NO3/c1-2-18-17(21)15-8-4-7-14(11-15)13-6-3-5-12(9-13)10-16(19)20/h3-9,11H,2,10H2,1H3,(H,18,21)(H,19,20) |
| InChI Key | FBFDLRCJKCXOEF-UHFFFAOYSA-N |
| MDL Number | MFCD22205795 |
| Molecular Formula | C17H17NO3 |
| Molecular Weight | 283.3218 |
| SMILES | O=C(O)CC1=CC=CC(C2=CC=CC(C(NCC)=O)=C2)=C1 |
| Synonyms | {3-[3-(ethylcarbamoyl)phenyl]phenyl}acetic acid,
1375069-13-8,
ACMC-209cdn,
CTK8B0667,
DTXSID00742998,
ANW-20313,
MFCD22205795,
ZINC85477239,
AKOS026673094,
TC-109058,
B-8656,
[3'-(Ethylcarbamoyl)[1,1'-biphenyl]-3-yl]acetic acid,
[1,1'-Biphenyl]-3-acetic acid, 3'-[(ethylamino)carbonyl]-,
{3-[3-(ethylcarbamoyl)phenyl]phenyl}aceticacid,
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| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.327g/mol |
| Monoisotopic Mass | 283.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number