| CAS Number | 728918-79-4 |
| Catalog Number | AG003I8F(AGN-PC-0WP1TO) |
| Chemical Name | 3'-(Isopropoxycarbonyl)biphenyl-3-carboxylic acid |
| IUPAC Name | 3-(3-propan-2-yloxycarbonylphenyl)benzoic acid |
| InChI | InChI=1S/C17H16O4/c1-11(2)21-17(20)15-8-4-6-13(10-15)12-5-3-7-14(9-12)16(18)19/h3-11H,1-2H3,(H,18,19) |
| InChI Key | YAKLXVIMPZGSIR-UHFFFAOYSA-N |
| MDL Number | MFCD04117393 |
| Molecular Formula | C17H16O4 |
| Molecular Weight | 284.3065 |
| SMILES | C1=CC(=CC(C2=CC(C(=O)O)=CC=C2)=C1)C(=O)OC(C)C |
| Synonyms | Biphenyl-3,3'-dicarboxylic acid 3-isopropyl ester,
728918-79-4,
3'-(Isopropoxycarbonyl)biphenyl-3-carboxylic acid,
AC1MBU3U,
3-(3-propan-2-yloxycarbonylphenyl)benzoic Acid,
CTK5D6998,
DTXSID70373475,
ZINC2528967,
MFCD04117393,
AKOS015838558,
RTR-037606,
biphenyl-3,3'-dicarboxylic acid3-isopropyl ester,
Not Available,
CID2756670,
3-(Isopropoxycarbonyl)biphenyl-3-carboxylic acid,
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| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.311g/mol |
| Monoisotopic Mass | 284.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number